(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
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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 acidMolecular Formula
C30H46O4Molecular Mass
470.68Cite 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/ChemicalDetail.aspx?ref=1169806-02-3 (retrieved ) (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
