GLYCERYL TRIABIETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H92O6
Molecular Weight	945.401
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC(=CC1=CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@@]6([H])CCC(=CC6=CC[C@@]45[H])C(C)C)OC(=O)[C@]7(C)CCC[C@]8(C)[C@@]9([H])CCC(=CC9=CC[C@@]78[H])C(C)C)C(C)C

InChI

InChIKey=YDRDTDKISFMAQR-SBGDMIGBSA-N

InChI=1S/C63H92O6/c1-39(2)42-16-22-49-45(34-42)19-25-52-58(49,7)28-13-31-61(52,10)55(64)67-37-48(69-57(66)63(12)33-15-30-60(9)51-24-18-44(41(5)6)36-47(51)21-27-54(60)63)38-68-56(65)62(11)32-14-29-59(8)50-23-17-43(40(3)4)35-46(50)20-26-53(59)62/h19-21,34-36,39-41,48-54H,13-18,22-33,37-38H2,1-12H3/t49-,50-,51-,52+,53+,54+,58+,59+,60+,61+,62+,63+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C63H92O6
Molecular Weight	945.401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:41:30 GMT 2023` Edited by `admin` on `Fri Dec 15 19:41:30 GMT 2023`
Record UNII	MWN5XJ32MH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLYCERYL TRIABIETATE

Common Name

English

Glycerol triabietate

Common Name

English

Abietic acid glyceride

Common Name

English

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1′R,1′′R,4aR,4′aR,4′′aR,4bR,4′bR,4′′bR,10aR,10′aR,10′′aR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MWN5XJ32MH

Created by admin on Fri Dec 15 19:41:30 GMT 2023 , Edited by admin on Fri Dec 15 19:41:30 GMT 2023

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PUBCHEM

167920

Created by admin on Fri Dec 15 19:41:30 GMT 2023 , Edited by admin on Fri Dec 15 19:41:30 GMT 2023

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EPA CompTox

DTXSID80109861

Created by admin on Fri Dec 15 19:41:30 GMT 2023 , Edited by admin on Fri Dec 15 19:41:30 GMT 2023

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CAS

20633-97-0

Created by admin on Fri Dec 15 19:41:30 GMT 2023 , Edited by admin on Fri Dec 15 19:41:30 GMT 2023

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