| SpectraBase Compound ID | BUduHMOrM98 |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-15-30(25(33)34)23(32)16-29(7)19(24(18)30)8-9-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20-,21+,22-,23?,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey | INZNDYMBKAHLKV-OMYNDLHESA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3rXk3XUOzQ |
|---|---|
| Name | 11.alpha.-Hydroxybetulinic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-15-30(25(33)34)23(32)16-29(7)19(24(18)30)8-9-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20-,21+,22-,23?,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey | INZNDYMBKAHLKV-OMYNDLHESA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | OC1C[C@]2([C@@]3(CC[C@]4(C([C@](CC[C@@]4([C@]3(CC[C@@]2([C@@]2([C@]1(C(=O)O)CC[C@]2(C(=C)C)[H])[H])[H])[H])C)(O)[H])(C)C)[H])C)C |
| SPLASH | splash10-000i-0940100000-422aadf6d358a879f006 |
| Source of Spectrum | G4-59-299-1 |
| Synonyms | (3beta)-3,16-dihydroxylup-20(30)-en-28-oic acid (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4,9-dihydroxy-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 (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4,9-dihydroxy-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 (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-4,9-bis(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 |
| Wiley ID | 1606205 |