| SpectraBase Compound ID | A64CIOZv666 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | WCGUUGGRBIKTOS-APYMDAETSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2RL7fHE06RG |
|---|---|
| Name | Urs-12-en-28-oic acid, 3-hydroxy-, (3.beta.)- |
| Alternate Name(s) | (3beta)-3-hydroxyurs-12-en-28-oic acid .beta.-Ursolic acid 1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 3.beta.-Hydroxyurs-12-en-28-oic acid Bungeolic acid Malol Prunol Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)- Urs-12-en-28-oic acid, 3.beta.-hydroxy- Ursolic acid Urson (1S,2R,4aS,6aS,6bR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid AI3-03109 CCRIS 7123 EINECS 201-034-0 NSC 167406 NSC 4060 URSOLIC ACID B633868K036 |
| CAS Registry Number | 77-52-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | WCGUUGGRBIKTOS-APYMDAETSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(CC[C@]3([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CC[C@]([C@@]5(C)[H])(C)[H])[H])=CCC23)C)C)C1(C)C)C)[H] |
| SPLASH | splash10-0002-0190000000-853d87093abc331ae40b |
| Source of Spectrum | F7-20-158-3 |
| Wiley ID | 1556922 |