| SpectraBase Compound ID | AZBI4iik9jv |
|---|---|
| InChI | InChI=1S/C30H42O5/c1-17(2)13-20(31)14-18(3)21-7-9-28(6)23-15-22-25(19(4)26(34)35-22)30(10-8-24(32)33)16-29(23,30)12-11-27(21,28)5/h13,18,21-23,25H,4,7-12,14-16H2,1-3,5-6H3,(H,32,33)/t18-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1 |
| InChIKey | ZDQKEBHQSZETLM-VVYDSIJPSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C30H42O5 |
| Exact Mass | 482.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Gu3C5HL8ML |
|---|---|
| Name | Carinatin C |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H42O5 |
| InChI | InChI=1S/C30H42O5/c1-17(2)13-20(31)14-18(3)21-7-9-28(6)23-15-22-25(19(4)26(34)35-22)30(10-8-24(32)33)16-29(23,30)12-11-27(21,28)5/h13,18,21-23,25H,4,7-12,14-16H2,1-3,5-6H3,(H,32,33)/t18-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1 |
| InChIKey | ZDQKEBHQSZETLM-VVYDSIJPSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006887 |
| Molecular Weight | 482.661 g/mol |
| Optical Rotation | [a]D25 = +91.5 (c = 1.49, CHCl3) |
| Reported Formula | C30H42O5 |
| SMILES | OC(CC[C@]12[C@]3([C@@](C[C@@]4([C@]2(CC[C@]2([C@]4(CC[C@@]2([C@](C)(CC(C=C(C)C)=O)[H])[H])C)C)C1)[H])(OC(C3=C)=O)[H])[H])=O |
| SPLASH | splash10-052b-2900000000-8098f76be26446c974d7 |
| Source of Spectrum | G4-76-536-3 |
| Wiley ID | 1854889 |