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Substance Name: Glyceryl triabietate
RN: 20633-97-0
InChIKey: YDRDTDKISFMAQR-SBGDMIGBSA-N

Molecular Formula

  • C63-H92-O6

Molecular Weight

  • 945.414
 
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Names and Synonyms

Name of Substance

  • Glyceryl triabietate

Systematic Name

  • 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-(1alpha,4abeta,4balpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 20633-97-0

System Generated Number

  • 0020633970

Structure Descriptors

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

InChIKey

YDRDTDKISFMAQR-SBGDMIGBSA-N

Smiles

C1C(C(C)C)=CC=2[C@H](C1)[C@@]1([C@@H](CC2)[C@@](C)(CCC1)C(=O)OC(COC([C@@]1([C@@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@@]2(CCC1)C)C)=O)COC([C@@]1([C@@H]2CC=C3C=C(CC[C@H]3[C@@]2(CCC1)C)C(C)C)C)=O)C