SpectraBase Spectrum ID |
4reuyfh2DSb |
Name |
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-2,10-dihydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
CAS Registry Number |
94414-08-1 |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C29H46O4 |
InChI |
InChI=1S/C29H46O4/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3,33)13-15-29(19,23(31)32)16-14-27(18,28)5/h7,19-22,30,33H,8-17H2,1-6H3,(H,31,32)/t19-,20?,21-,22+,25?,26+,27-,28-,29+/m1/s1 |
InChIKey |
OLTNYMHTOUJXPV-GANDWIEKSA-N |
Molecular Weight |
458.683 g/mol |
SMILES |
OC1(C[C@@]2(C=3[C@@](CC[C@@]2(C(=O)O)CC1)([C@@]1(CCC2C([C@](CC[C@@]2([C@]1(CC3)[H])C)(O)[H])(C)C)C)C)[H])C |
SPLASH |
splash10-0079-0940100000-6daeb6909e83588eee4f |
Source of Spectrum |
I-68-2044-7 |
Synonyms |
(4aR,6aR,6aS,6bR,10S,12aR,14bR)-2,6a,6b,9,9,12a-hexamethyl-2,10-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Wiley ID |
1390008 |