| SpectraBase Compound ID | E3AtwKsKWdC |
|---|---|
| InChI | InChI=1S/C33H54O3/c1-20-19-27(35-10)31(7)17-18-32(8)23(28(31)21(20)2)11-12-25-30(6)15-14-26(36-22(3)34)29(4,5)24(30)13-16-33(25,32)9/h19,21,23-28H,11-18H2,1-10H3/t21-,23-,24+,25-,26+,27+,28-,30+,31+,32-,33-/m1/s1 |
| InChIKey | VBXDQVMGFPRRLF-HWPQEZICSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C33H54O3 |
| Exact Mass | 498.407296 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D54E03U6OhW |
|---|---|
| Name | 3.beta.-Acetoxy-22.alpha.-methoxy-20-taraxastene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O3 |
| InChI | InChI=1S/C33H54O3/c1-20-19-27(35-10)31(7)17-18-32(8)23(28(31)21(20)2)11-12-25-30(6)15-14-26(36-22(3)34)29(4,5)24(30)13-16-33(25,32)9/h19,21,23-28H,11-18H2,1-10H3/t21-,23-,24+,25-,26+,27+,28-,30+,31+,32-,33-/m1/s1 |
| InChIKey | VBXDQVMGFPRRLF-HWPQEZICSA-N |
| Molecular Weight | 498.792 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(OC(=O)C)[H])C)([H])CC[C@@]2([C@]2([C@@](C(C)=C[C@@]([C@@]2(CC1)C)(OC)[H])(C)[H])[H])[H])C)C |
| SPLASH | splash10-004i-0900400000-b1b491df84cc179d399f |
| Source of Spectrum | G4-63-900-3 |
| Synonyms | (3beta,9alpha,13beta,18alpha,19alpha,22alpha)-22-methoxyurs-20-en-3-yl acetate Acetic acid[(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]ester [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]acetate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]ethanoate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate |
| Wiley ID | 1608489 |