| SpectraBase Spectrum ID |
9oRZM43XAKh |
| Name |
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid |
| CAS Registry Number |
76094-29-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H46O3 |
| InChI |
InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,26+,27+,28-,29+,30+/m0/s1 |
| InChIKey |
CGZZFWMLSVHLFZ-FUQFICMISA-N |
| Molecular Weight |
454.695 g/mol |
| SMILES |
OC([C@]1(C[C@]2(C=3[C@]([C@]4([C@@]([C@]5(CCC(C([C@@]5(CC4)[H])(C)C)=O)C)(CC3)[H])C)(CC[C@]2(CC1)C)C)[H])C)=O |
| SPLASH |
splash10-0075-9650000000-95426bd8c92be0e7d362 |
| Source of Spectrum |
X2-55-658-2 |
| Synonyms |
3-Oxo-olean-12-en-29-oic Acid
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
(2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
3-Oxoolean-12-en-29-oic acid
Katononic acid |
| Wiley ID |
1604445 |
