| SpectraBase Compound ID | Emxh2PQpObv |
|---|---|
| InChI | InChI=1S/C31H46O5/c1-19(2)16-22(32)17-20(3)23-10-12-29(6)25-9-8-24(21(4)27(34)35)30(13-11-26(33)36-7)18-31(25,30)15-14-28(23,29)5/h16,20,23-25H,4,8-15,17-18H2,1-3,5-7H3,(H,34,35)/t20-,23-,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | MLKXVOOVIJPDAI-LODSACRSSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C31H46O5 |
| Exact Mass | 498.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DvjizQEoCWN |
|---|---|
| Name | Carinatin E |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O5 |
| InChI | InChI=1S/C31H46O5/c1-19(2)16-22(32)17-20(3)23-10-12-29(6)25-9-8-24(21(4)27(34)35)30(13-11-26(33)36-7)18-31(25,30)15-14-28(23,29)5/h16,20,23-25H,4,8-15,17-18H2,1-3,5-7H3,(H,34,35)/t20-,23-,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | MLKXVOOVIJPDAI-LODSACRSSA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np3006887 |
| Molecular Weight | 498.704 g/mol |
| Optical Rotation | [a]D25 = +24.7 (c = 0.52, CHCl3) |
| Reported Formula | C31H46O5 |
| SMILES | OC(C([C@]1([C@]2(CCC(=O)OC)[C@]3([C@@](CC1)([C@]1([C@](CC3)([C@](CC1)([C@](C)(CC(C=C(C)C)=O)[H])[H])C)C)[H])C2)[H])=C)=O |
| SPLASH | splash10-052n-3902100000-76b433116fc586e2f3d7 |
| Source of Spectrum | G4-76-536-5 |
| Wiley ID | 1854891 |