| SpectraBase Compound ID | IY4auB5vVXd |
|---|---|
| InChI | InChI=1S/2C29H50O5/c2*1-18(17-34-20(3)30)7-6-8-19(2)23-9-10-24-22-15-26(32)29(33)16-21(31)11-14-28(29,5)25(22)12-13-27(23,24)4/h2*18-19,21-26,31-33H,6-17H2,1-5H3/t2*18?,19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m11/s1 |
| InChIKey | MPMSXBZQRDVHRS-DYHHRDKPSA-N |
| Mol Weight | 957.4 g/mol |
| Molecular Formula | C58H100O10 |
| Exact Mass | 956.731649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DybX8kiGlyn |
|---|---|
| Name | CHLOESTANE-3-BETA,5-ALPHA,6-BETA,26-TETROL-26-ACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H100O10 |
| InChI | InChI=1S/2C29H50O5/c2*1-18(17-34-20(3)30)7-6-8-19(2)23-9-10-24-22-15-26(32)29(33)16-21(31)11-14-28(29,5)25(22)12-13-27(23,24)4/h2*18-19,21-26,31-33H,6-17H2,1-5H3/t2*18?,19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m11/s1 |
| InChIKey | MPMSXBZQRDVHRS-DYHHRDKPSA-N |
| Literature Reference Author | G.K.LIYANAGE,F.J.SCHMITZ |
| Literature Reference Citation | J.NAT.PROD.,59,148(1996) |
| Literature Reference DOI | 10.1021/np960032t |
| Molecular Weight | 957.426 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2591 |