| SpectraBase Compound ID | ETXbBQskLQy |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,32-33H,9,11-18H2,1-8H3/t19-,20-,21-,23+,25+,28-,29-,30+/m1/s1 |
| InChIKey | ZDOLIOLHSICTGE-WNPHQVSTSA-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 | 5GRpU5VZJcf |
|---|---|
| Name | 3-Oxolanost-9.beta.H-7-en-24S,25-diol |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,32-33H,9,11-18H2,1-8H3/t19-,20-,21-,23+,25+,28-,29-,30+/m1/s1 |
| InChIKey | ZDOLIOLHSICTGE-WNPHQVSTSA-N |
| Instrument Name | Hitachi 4000H double-focusing |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020282b |
| Molecular Weight | 458.727 g/mol |
| Optical Rotation | [a]D22 = +38 (c = 1.30, CHCl3) |
| Reported Formula | C30H50O3 |
| SMILES | OC([C@](CC[C@]([C@@]1([C@@]2([C@](C=3[C@]([C@@]4([C@@](CC3)(C(C(CC4)=O)(C)C)[H])C)(CC2)[H])(CC1)C)C)[H])(C)[H])(O)[H])(C)C |
| SPLASH | splash10-056r-1111900000-67abd9e3eaab10f067e8 |
| Source of Spectrum | G4-65-1659-3 |
| Wiley ID | 1883515 |