| SpectraBase Compound ID | CMs1OrjDsLw |
|---|---|
| InChI | InChI=1S/C39H62O12/c1-20(41)48-29-30(35(7)13-11-26(51-35)34(5,6)46)39(19-40)16-15-38-18-37(38)14-12-25(50-32-28(45)27(44)22(43)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(29)49-21(2)42/h22-32,40,43-46H,9-19H2,1-8H3/t22-,23?,24?,25+,26?,27+,28-,29-,30?,31+,32+,35?,36-,37-,38+,39+/m1/s1 |
| InChIKey | AOEKSLVHJZEURZ-VQQYLJOOSA-N |
| Mol Weight | 722.9 g/mol |
| Molecular Formula | C39H62O12 |
| Exact Mass | 722.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hvm7VG00X78 |
|---|---|
| Name | BEESIOSIDE-J;(20S,24R)-15-ALPHA,16-BETA-DIACETOXY-20,24-EPOXY-9,19-CYCLOLANOSTANE-3-BETA,18,25-TRIOL-3-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O12 |
| InChI | InChI=1S/C39H62O12/c1-20(41)48-29-30(35(7)13-11-26(51-35)34(5,6)46)39(19-40)16-15-38-18-37(38)14-12-25(50-32-28(45)27(44)22(43)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(29)49-21(2)42/h22-32,40,43-46H,9-19H2,1-8H3/t22-,23?,24?,25+,26?,27+,28-,29-,30?,31+,32+,35?,36-,37-,38+,39+/m1/s1 |
| InChIKey | AOEKSLVHJZEURZ-VQQYLJOOSA-N |
| Literature Reference Author | J.JU,D.LIU,G.LIN,Y.ZHANG,J.YANG,Y.LU,N.GONG,Q.ZHENG |
| Literature Reference Citation | J.NAT.PROD.,65,147(2002) |
| Literature Reference DOI | 10.1021/np010294h |
| Molecular Weight | 722.914 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI2751 |