| SpectraBase Compound ID | 4VkFWrNgPIM |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(31)25-15-27(32)28(33)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,18-28,31-33H,1,10-16H2,2-7H3/b9-8-/t19-,20?,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | NUYXLGWLOXEOIP-FINGMENWSA-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 | B6e1oz2pWzJ |
|---|---|
| Name | Polasterol B |
| Alternate Name(s) | (2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,3Z)-6-methyl-5-propan-2-yl-hepta-3,6-dien-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol (2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R,2Z)-4-isopropyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(31)25-15-27(32)28(33)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,18-28,31-33H,1,10-16H2,2-7H3/b9-8-/t19-,20?,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | NUYXLGWLOXEOIP-FINGMENWSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@@]1([C@](C[C@]2([C@@]([C@@]3([C@@](C[C@@]2(O)[H])([C@@]2(CC[C@@]([C@]2(CC3)C)([C@@](\C=C/C(C(=C)C)C(C)C)(C)[H])[H])[H])[H])[H])(C1)C)[H])(O)[H])[H] |
| SPLASH | splash10-0aor-0004900000-a6cce00644ccd05800e2 |
| Source of Spectrum | G4-63-1177-5 |
| Wiley ID | 1608590 |