| SpectraBase Compound ID | LkMSJeKYqPD |
|---|---|
| InChI | InChI=1S/C31H56O12S3.3Na/c1-18(2)29(5,6)20(4)10-9-19(3)22-11-12-23-21-15-26(41-44(32,33)34)25-16-27(42-45(35,36)37)28(43-46(38,39)40)17-31(25,8)24(21)13-14-30(22,23)7;;;/h18-28H,9-17H2,1-8H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/t19-,20?,21?,22-,23?,24?,25?,26+,27+,28+,30-,31-;;;/m1.../s1 |
| InChIKey | GNZRSMMCDMYRAK-SVFWERSBSA-K |
| Mol Weight | 782.90230785 g/mol |
| Molecular Formula | C31H53Na3O12S3 |
| Exact Mass | 782.239223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52LZBuXUD2z |
|---|---|
| Name | OPHIRAPSTANOL-TRISULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H53Na3O12S3 |
| InChI | InChI=1S/C31H56O12S3.3Na/c1-18(2)29(5,6)20(4)10-9-19(3)22-11-12-23-21-15-26(41-44(32,33)34)25-16-27(42-45(35,36)37)28(43-46(38,39)40)17-31(25,8)24(21)13-14-30(22,23)7;;;/h18-28H,9-17H2,1-8H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/t19-,20?,21?,22-,23?,24?,25?,26+,27+,28+,30-,31-;;;/m1.../s1 |
| InChIKey | GNZRSMMCDMYRAK-SVFWERSBSA-K |
| Literature Reference Author | S.P.GUNASEKERA,S.H.SENNETT,M.KELLY-BORGES,R.W.BRYANT |
| Literature Reference Citation | J.NAT.PROD.,57,1751(1994) |
| Literature Reference DOI | 10.1021/np50114a024 |
| Molecular Weight | 782.904 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP8 |