85269-22-3

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Basic information

Product Name: (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one
Synonyms: (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one;Betaenone A
CAS NO:85269-22-3
Molecular Formula: C21H34O5
Molecular Weight: 366.49166
EINECS: N/A
Product Categories: N/A
Mol File: 85269-22-3.mol
Article Data: 0

Chemical Properties

Melting Point: N/A
Boiling Point: 499°Cat760mmHg
Flash Point: 269.7°C
Appearance: /
Density: 1.24g/cm³
Vapor Pressure: 4.78E-12mmHg at 25°C
Refractive Index: 1.599
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one(CAS DataBase Reference)
NIST Chemistry Reference: (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one(85269-22-3)
EPA Substance Registry System: (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one(85269-22-3)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 85269-22-3(Hazardous Substances Data)

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1,4-Ethanonaphthalen-9-one,decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-,(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-
Cas No: 85269-22-3
USD $ 3.0-3.0 / Kilogram
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Dayang Chem (Hangzhou) Co.,Ltd.
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85269-22-3
Cas No: 85269-22-3
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Henan Tianfu Chemical Co., Ltd.
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1,4-Ethanonaphthalen-9-one,decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-,(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)- cas 85269-22-3
Cas No: 85269-22-3
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Hangzhou Fandachem Co.,Ltd
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85269-22-3 (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one
Cas No: 85269-22-3
USD $ 1.0-1.0 / Kilogram
1 Kilogram
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Henan Bizhi Chemical Tech Co Ltd
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85269-22-3 Usage

Description

(1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one is a complex organic molecule with a unique structure. It has a total of 10 stereocenters, making it a highly chiral compound. Its molecular formula suggests the presence of several hydroxyl groups, a hydroxymethylene group, and a ketone group. (1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one also contains a 1-methylpropyl side chain.

Uses

Used in Pharmaceutical Applications:
(1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one is used as a pharmaceutical agent for its potential to interact with biological systems. Its complex structure and the presence of multiple functional groups make it a promising candidate for the development of new drugs.
Used in Biochemical Research:
(1R,3Z,4S,4aα,6R,8aβ,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8β,9-tetramethyl-10-[(R)-1-methylpropyl]-1,4-ethanonaphthalen-2(1H)-one is used in biochemical research for studying the interactions between complex organic molecules and biological systems. Its unique structure and chirality make it an interesting subject for research in the field of biochemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 85269-22-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,2,6 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 85269-22:
(7*8)+(6*5)+(5*2)+(4*6)+(3*9)+(2*2)+(1*2)=153
153 % 10 = 3
So 85269-22-3 is a valid CAS Registry Number.

InChI:InChI=1/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+

85269-22-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name	(10Z)-12-butan-2-yl-5,8,11-trihydroxy-10-(hydroxymethylidene)-1,3,5,11-tetramethyl-2,3,4,6,7,12-hexahydrotricyclo[6.2.2.0<sup>2,7</sup>]dodeca-3,9-dien-9-one

1.2 Other means of identification

Product number	-
Other names	BETAENONE A

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

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