(1S,2S,4bS,6aS,9R,10aR,10bS)-9-Carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid

CAS Registry Number®

162898-22-8

CAS Name

(1S,2S,4bS,6aS,9R,10aR,10bS)-9-Carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

(1S,2S,4bS,6aS,9R,10aR,10bS)-9-Carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162898-22-8 (retrieved 2024-11-08) (CAS RN: 162898-22-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h20,23H,1,8-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,23+,26+,27+,28-,29+,30-/m0/s1

InChIKey

InChIKey=GVBMRRFNKPJHKN-FCHNXXHMSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(O)=O)(C)C3)[H])CCC4=C2CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C

Canonical SMILES

O=C(O)CCC1(C2=C(CCC1C(=C)C)C3(C)CCC4(C)CCC(C(=O)O)(C)CC4C3(C)CC2)C

Other Names for this Substance

  • 1-Chrysenepropanoic acid, 9-carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-, (1S,2S,4bS,6aS,9R,10aR,10bS)-
  • D:C-Friedo-3,4-secooleana-4(23),8-diene-3,29-dioic acid, (20α)-
  • (1S,2S,4bS,6aS,9R,10aR,10bS)-9-Carboxy-1,2,3,4,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1,4b,6a,9,10b-pentamethyl-2-(1-methylethenyl)-1-chrysenepropanoic acid