| SpectraBase Compound ID | L0pHCnicVkc |
|---|---|
| InChI | InChI=1S/C36H60O10/c1-31(2)13-20-19-7-8-23-32(3)11-10-24(40)33(4,17-38)22(32)9-12-34(23,5)35(19,6)14-25(41)36(20,18-39)15-26(31)46-30-29(44)28(43)27(42)21(16-37)45-30/h7,20-30,37-44H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | KOZJIXQYUBLYNC-UMCVERNGSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C36H60O10 |
| Exact Mass | 652.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 932oQOEBj1n |
|---|---|
| Name | PLEUROSAPONIN-A;21-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-BETA,21-BETA,23,28-PENTAHYDROXY-OLEAN-12-EN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O10 |
| InChI | InChI=1S/C36H60O10/c1-31(2)13-20-19-7-8-23-32(3)11-10-24(40)33(4,17-38)22(32)9-12-34(23,5)35(19,6)14-25(41)36(20,18-39)15-26(31)46-30-29(44)28(43)27(42)21(16-37)45-30/h7,20-30,37-44H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,32-,33-,34+,35+,36+/m0/s1 |
| InChIKey | KOZJIXQYUBLYNC-UMCVERNGSA-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 | 652.866 g/mol |
| Source File Reference | UWBT4480 |