| SpectraBase Compound ID | tFB5S3dQnu |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IhW5SrKvuh4 |
|---|---|
| Name | Maniladiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@@]1([C@]2(CCC(C[C@]2(C=2[C@]([C@@]3(CC[C@]4(C([C@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])(C)C)[H])C)(C1)C)[H])(C)C)C)[H] |
| SPLASH | splash10-0f89-0190000000-02199b4e224bddddfbe3 |
| Source of Spectrum | X2-53-1555-6 |
| Synonyms | (3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol |
| Wiley ID | 1603820 |