| SpectraBase Compound ID | 1ATrqmcwG6u |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-18(2)15-20(31)16-19(3)21-9-11-27(5)22-7-8-23-28(6,25(33)34)24(32)10-12-29(23)17-30(22,29)14-13-26(21,27)4/h18-19,21-24,32H,7-17H2,1-6H3,(H,33,34)/t19-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | HKSDUVYTZJMYNE-AHGLEFSXSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2XMLLiulqC |
|---|---|
| Name | Carinatin B |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-18(2)15-20(31)16-19(3)21-9-11-27(5)22-7-8-23-28(6,25(33)34)24(32)10-12-29(23)17-30(22,29)14-13-26(21,27)4/h18-19,21-24,32H,7-17H2,1-6H3,(H,33,34)/t19-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | HKSDUVYTZJMYNE-AHGLEFSXSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006887 |
| Molecular Weight | 472.710 g/mol |
| Optical Rotation | [a]D24 = +40.5 (c = 0.74, CHCl3) |
| Reported Formula | C30H48O4 |
| SMILES | O[C@]1(CC[C@]23[C@]([C@@]1(C(=O)O)C)(CC[C@@]1([C@]3(CC[C@]3([C@]1(CC[C@@]3([C@](C)(CC(CC(C)C)=O)[H])[H])C)C)C2)[H])[H])[H] |
| SPLASH | splash10-0a4v-2901000000-377746620e3af87a50f9 |
| Source of Spectrum | G4-76-536-2 |
| Wiley ID | 1854888 |