| SpectraBase Compound ID | BxTlivB8ic8 |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-17-18-32(9)27-15-13-25-26(30(27,7)19-20-31(24,32)8)14-16-28(29(25,5)6)34-23(4)33/h11,13,22,24,26-28H,10,12,14-20H2,1-9H3/t22-,24+,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | WIQKDJRPJQQUQD-MAMAKHGKSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8AugGBtVG3v |
|---|---|
| Name | Antiquol B - 3-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-17-18-32(9)27-15-13-25-26(30(27,7)19-20-31(24,32)8)14-16-28(29(25,5)6)34-23(4)33/h11,13,22,24,26-28H,10,12,14-20H2,1-9H3/t22-,24+,26-,27+,28+,30+,31+,32-/m1/s1 |
| InChIKey | WIQKDJRPJQQUQD-MAMAKHGKSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | [C@@]12([C@]([C@]([C@@](CCC=C(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@@]1(CC=C1C([C@@](OC(=O)C)(CC[C@@]21[H])[H])(C)C)[H])C)C)C |
| SPLASH | splash10-067i-8793100000-fe9577caf8bd30c77c58 |
| Source of Spectrum | G4-65-161-3 |
| Synonyms | Acetic acid [(3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1609394 |