(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-Hexadecahydro-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-7aH-cyclopenta[a]chrysene-7a-carboxylic acid

CAS Registry Number®

1169806-02-3

CAS Name

(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-Hexadecahydro-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-7aH-cyclopenta[a]chrysene-7a-carboxylic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-Hexadecahydro-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-7aH-cyclopenta[a]chrysene-7a-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1169806-02-3 (retrieved 2024-12-26) (CAS RN: 1169806-02-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16,20-23,31-32H,9-15,17H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1

InChIKey

InChIKey=ABBHOGULYDHHCV-XENLZXDWSA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@@]4(C)C(=CC3)[C@]5([C@@](C(O)=O)(CC4)CCC(C)(C)[C@H]5O)[H])CC[C@]1(C(C)(C)C=C2CO)[H])[H]

Canonical SMILES

O=C(O)C12CCC3(C(=CCC4C5(C(=CC(C)(C)C5CCC43C)CO)C)C2C(O)C(C)(C)CC1)C

Other Names for this Substance

  • 7aH-Cyclopenta[a]chrysene-7a-carboxylic acid, 3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-, (3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-
  • (3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-Hexadecahydro-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,10,13b-heptamethyl-7aH-cyclopenta[a]chrysene-7a-carboxylic acid
  • Sculponeatic acid

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.