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Substance Name: 5-((2E)-((3aS,7aS)-1-((1R)-3-((1,1-Dimethylethyl)sulfonyl)-1-methylpropyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol, (1R,3S,5Z)-
RN: 250384-79-3
UNII: 41UB88E0BF
InChIKey: KBXGPDZPJGFKMO-JGMGOPDFSA-N

Molecular Formula

  • C27-H42-O4-S

Molecular Weight

  • 462.6908
 
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Names and Synonyms

Name of Substance

  • 5-((2E)-((3aS,7aS)-1-((1R)-3-((1,1-Dimethylethyl)sulfonyl)-1-methylpropyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol, (1R,3S,5Z)-

Synonyms

  • 1,3-Cyclohexanediol, 5-((2E)-2-((3aS,7aS)-1-((1R)-3-((1,1-dimethylethyl)sulfonyl)-1-methylpropyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-
  • 5-((2E)-((3aS,7aS)-1-((1R)-3-((1,1-Dimethylethyl)sulfonyl)-1-methylpropyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol, (1R,3S,5Z)-
  • 5-((2E)-((3aS,7aS)-1-((1R)-3-((1,1-Dimethylethyl)sulfonyl)-1-methylpropyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-1,3-cyclohexanediol, (1R,3S,5Z)-(+)-
  • UNII-41UB88E0BF

Registry Numbers

CAS Registry Number

  • 250384-79-3

FDA UNII

  • 41UB88E0BF

System Generated Number

  • 0250384793

Structure Descriptors

InChI

1S/C27H42O4S/c1-18(13-15-32(30,31)26(3,4)5)23-11-12-24-20(8-7-14-27(23,24)6)9-10-21-16-22(28)17-25(29)19(21)2/h9-11,18,22,24-25,28-29H,2,7-8,12-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,24+,25+,27-/m1/s1

InChIKey

KBXGPDZPJGFKMO-JGMGOPDFSA-N

Smiles

C[C@H](CCS(=O)(=O)C(C)(C)C)C1=CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C