| SpectraBase Compound ID | 8wKlnhn9njZ |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22+,23+,24-,25+,27-,28+,29+,30-/m0/s1 |
| InChIKey | TWKNDDJHVQUEJF-AJZBJTNWSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjS0enQyeDs |
|---|---|
| Name | 3.alpha.,16.beta.,28-Trihydroxy-Lup-20(29)-ene |
| Alternate Name(s) | (1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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-4,9-diol (1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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-4,9-diol (1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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-4,9-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21-,22+,23+,24-,25+,27-,28+,29+,30-/m0/s1 |
| InChIKey | TWKNDDJHVQUEJF-AJZBJTNWSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@@]3([C@]([C@@]4(C[C@@]([C@@]5(CO)CC[C@]([C@@]5([C@]4(CC3)[H])[H])(C(=C)C)[H])(O)[H])C)(CC[C@]2(C1(C)C)[H])C)[H])C)[H] |
| SPLASH | splash10-0f7c-0740900000-feb44f423706a3fee19d |
| Source of Spectrum | G4-72-1047-1 |
| Wiley ID | 1702109 |