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75659-26-6

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Basic Information
CAS No.: 75659-26-6
Name: 14-O-ACETYLDICTYOCARPINE
Molecular Structure:
Molecular Structure of 75659-26-6 (14-O-ACETYLDICTYOCARPINE)
Formula: C28H41 N O9
Molecular Weight: 535.635
Synonyms: 14-Acetyldictyocarpine;14-O-Acetyldictyocarpine; Dictyocarpine 14-acetate; Dictyocarpinine6,14-diacetate
Density: 1.35g/cm3
Boiling Point: 614.7°C at 760 mmHg
Flash Point: 325.5°C
Safety: Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 112.99000
LogP: 1.20450
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Chemistry

Chemistry informtion about 14-Acetyldictyocarpine(CAS NO.75659-26-6) is:
Synonyms: Aconitane-6,10,14-triol, 1,16-dimethoxy-20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 6,14-diacetate, (1-alpha,6-beta,14-alpha,16-beta)- Molecular Weight: 535.62644 [g/mol]
Molecular Formula: C28H41NO9
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 10
Density: 1.35 g/cm3
Flash Point: 325.5 °C
Enthalpy of Vaporization: 104.59 kJ/mol
Boiling Point: 614.7 °C at 760 mmHg
Vapour Pressure: 1.11E-17 mmHg at 25°C 
Following is the molecular structure of 14-Acetyldictyocarpine(CAS NO.75659-26-6) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 765mg/kg (765mg/kg) behavioral: ataxia Journal of Agricultural and Food Chemistry. Vol. 41, Pg. 96, 1993.

Safety Profile

Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

Descriptors Computed from Structure about 14-Acetyldictyocarpine(CAS NO.75659-26-6) is:
Canonical SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC(=O)C)O)OC)OCO5)OC(=O)C)OC)C
InChI: InChI=1S/C28H41NO9/c1-7-29-12-24(4)9-8-18(34-6)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(33-5)16-10-25(27,32)20(26)19(16)37-14(2)30/h16-23,32H,7-13H2,1-6H3
InChIKey: YRFHHBLWWCMRSY-UHFFFAOYSA-N