| SpectraBase Compound ID | 2QSDgcHA8Wa |
|---|---|
| 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-/m1/s1 |
| InChIKey | CGZZFWMLSVHLFZ-COQBPOGQSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DRYS0AW6RLe |
|---|---|
| Name | 3-Oxo-olean-12-en-29-oic 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-/m1/s1 |
| InChIKey | CGZZFWMLSVHLFZ-COQBPOGQSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | OC(C1(C[C@@]2(C=3[C@]([C@]4([C@@]([C@]5(CCC(C(C5CC4)(C)C)=O)C)(CC3)[H])C)(CC[C@]2(CC1)C)C)[H])C)=O |
| SPLASH | splash10-000b-0690000000-73c90c215241e7a001ed |
| Source of Spectrum | B-38-1375-4 |
| Synonyms | Katononic acid (4aS,6aR,6aS,6bR,12aR,14bS)-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 (4aS,6aR,6aS,6bR,12aR,14bS)-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 |
| Wiley ID | 1388903 |