| SpectraBase Compound ID | FZZGOImlV1y |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33) |
| InChIKey | QGJZLNKBHJESQX-UHFFFAOYSA-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 | ADROXRjkvvw |
|---|---|
| Name | Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3.beta.)- |
| CAS Registry Number | 472-15-1 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33) |
| InChIKey | QGJZLNKBHJESQX-UHFFFAOYSA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | OC1CCC2(C3C(C4(CCC5(C(=O)O)CCC(C5C4CC3)C(=C)C)C)(CCC2C1(C)C)C)C |
| SPLASH | splash10-052b-0090400000-7dd89cd9cc5284919b12 |
| Source of Spectrum | QA-44-323-11 |
| Synonyms | 3-Hydroxylup-20(29)-en-28-oic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid 1H-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv. 5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Betulic acid Betulinic acid Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)- Lup-20(29)-en-28-oic acid, 3.beta.-hydroxy- Mairin CCRIS 6748 EINECS 207-448-8 NSC 113090 NSC 677578 RL9-080 |
| Wiley ID | 862437 |