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81720-10-7

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Basic Information
CAS No.: 81720-10-7
Name: 9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN
Molecular Structure:
Molecular Structure of 81720-10-7 (9,10-DEEPITHIO-9,10-DIDEHYDRO-35-METHYL-ACANTHIFOLICIN)
Formula: C45H70O13
Molecular Weight: 819.15
Synonyms: DINOPHYSISTOXIN-1;(35R)-9,45-Seco-10-demercapto-9,10-didehydro-35-methylacanthifolicin;9,10-deepithio-9,10-didehydro-35-methyl-acanthifolici;35-methylokadaicacid;DTX1;OKADAIC ACID,35-METHYL;DINOPHYSISTOXIN-I;Acanthifolicin,9,10-deepithio-9,10-didehydro-35-methyl;
Density: 1.27g/cm3
Boiling Point: 923.3°Cat760mmHg
Flash Point: 267.9°C
Safety: Questionable carcinogen with experimental tumorigenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 182.83000
LogP: 5.45960
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Chemistry

Product Name: Dinophysistoxin 1 (CAS NO.81720-10-7)


IUPAC: 3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
Molecular Formula: C45H70O13
Molecular Weight: 819.03g/mol
Mol File: 81720-10-7.mol
Boiling point: 923.3 °C at 760 mmHg
Flash Point: 267.9 °C
Density: 1.27 g/cm3
Surface Tension: 57.2 dyne/cm
Enthalpy of Vaporization: 152.39 kJ/mol
XLogP3-AA: 3.8
H-Bond Donor: 5
H-Bond Acceptor: 13

Safety Profile

Questionable carcinogen with experimental tumorigenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Dinophysistoxin 1 , its CAS NO. is 81720-10-7, the synonyms are 35-Methylokadaic acid ; CCRIS 3328 ; Okadaic acid, 35-methyl- ; 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, 8-((1R,2E)-3-((2R,4'aR,5R,6'S,8'R,8'aS)-6'-((1S,3S)-3-((2-S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro(5.5)undec-2-yl)-1-hydroxybutyl)octahydro-8'-hydroxy-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-1-methyl-2-propenyl)-alpha,5-dihydroxy-alpha,10-dimethyl-, (alphaR,2S,5R,6R,8S)- ; Acanthifolicin, 9,10-deepithio-9,10-didehydro-35-methyl- .