| SpectraBase Compound ID | 5DqYqmsmSGV |
|---|---|
| InChI | InChI=1S/C38H62O11/c1-20(41)47-19-35(5)24-10-13-36(6)25(34(24,4)12-11-26(35)42)9-8-21-22-14-33(2,3)28(16-38(22,18-40)27(43)15-37(21,36)7)49-32-31(46)30(45)29(44)23(17-39)48-32/h8,22-32,39-40,42-46H,9-19H2,1-7H3/t22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32-,34-,35-,36+,37+,38+/m0/s1 |
| InChIKey | RLYVYOVBLQULMI-GFZGKBSQSA-N |
| Mol Weight | 694.9 g/mol |
| Molecular Formula | C38H62O11 |
| Exact Mass | 694.429213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GCMKN4JomT |
|---|---|
| Name | PLEUROSAPONIN-B;21-O-BETA-D-GLUCOPYRANOSYL-23-ACETOXYL-3-BETA,16-BETA,21-BETA,28-TETRAHYDROXY-OLEAN-12-EN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O11 |
| InChI | InChI=1S/C38H62O11/c1-20(41)47-19-35(5)24-10-13-36(6)25(34(24,4)12-11-26(35)42)9-8-21-22-14-33(2,3)28(16-38(22,18-40)27(43)15-37(21,36)7)49-32-31(46)30(45)29(44)23(17-39)48-32/h8,22-32,39-40,42-46H,9-19H2,1-7H3/t22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32-,34-,35-,36+,37+,38+/m0/s1 |
| InChIKey | RLYVYOVBLQULMI-GFZGKBSQSA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 694.904 g/mol |
| Source File Reference | UWBT4481 |