| SpectraBase Compound ID | JkdRWlRnm0Z |
|---|---|
| InChI | InChI=1S/C31H46O6/c1-18(14-20(32)16-27(3,4)35)21-8-10-29(6)23-15-22-25(19(2)26(34)37-22)31(11-9-24(33)36-7)17-30(23,31)13-12-28(21,29)5/h18,21-23,25,35H,2,8-17H2,1,3-7H3/t18-,21-,22-,23+,25-,28-,29+,30+,31-/m1/s1 |
| InChIKey | IAPFVMVXUKIQBQ-QQUVVESZSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C31H46O6 |
| Exact Mass | 514.329439 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 76euLLh4e31 |
|---|---|
| Name | Carinatin D |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O6 |
| InChI | InChI=1S/C31H46O6/c1-18(14-20(32)16-27(3,4)35)21-8-10-29(6)23-15-22-25(19(2)26(34)37-22)31(11-9-24(33)36-7)17-30(23,31)13-12-28(21,29)5/h18,21-23,25,35H,2,8-17H2,1,3-7H3/t18-,21-,22-,23+,25-,28-,29+,30+,31-/m1/s1 |
| InChIKey | IAPFVMVXUKIQBQ-QQUVVESZSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006887 |
| Molecular Weight | 514.703 g/mol |
| Optical Rotation | [a]D24 = +85.3 (c = 0.48, CHCl3) |
| Reported Formula | C31H46O6 |
| SMILES | OC(CC(C[C@]([C@]1(CC[C@@]2([C@@]1(CC[C@@]13[C@]2(C[C@@]2([C@]([C@@]3(CCC(=O)OC)C1)(C(C(O2)=O)=C)[H])[H])[H])C)C)[H])(C)[H])=O)(C)C |
| SPLASH | splash10-007k-0901000000-4fc224ad92dada3c900c |
| Source of Spectrum | G4-76-536-4 |
| Wiley ID | 1854890 |