| SpectraBase Compound ID | 4C4Vde1zNc3 |
|---|---|
| InChI | InChI=1S/C40H60O12/c1-20-9-14-40(46-18-20)21(2)34-32(52-40)17-29-27-16-31(30-15-26(47-22(3)41)10-12-38(30,7)28(27)11-13-39(29,34)8)51-37-36(50-25(6)44)35(49-24(5)43)33(19-45-37)48-23(4)42/h20-21,26-37H,9-19H2,1-8H3/t20-,21-,26-,27+,28-,29-,30+,31-,32-,33-,34-,35+,36-,37+,38+,39-,40+/m0/s1 |
| InChIKey | QYBNLYVMQXAIQI-KLDHTXTOSA-N |
| Mol Weight | 732.9 g/mol |
| Molecular Formula | C40H60O12 |
| Exact Mass | 732.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dt3Qv0QXjot |
|---|---|
| Name | 6-ALPHA-O-BETA-D-XYLOPYRANOSYL-(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-PERACETATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O12 |
| InChI | InChI=1S/C40H60O12/c1-20-9-14-40(46-18-20)21(2)34-32(52-40)17-29-27-16-31(30-15-26(47-22(3)41)10-12-38(30,7)28(27)11-13-39(29,34)8)51-37-36(50-25(6)44)35(49-24(5)43)33(19-45-37)48-23(4)42/h20-21,26-37H,9-19H2,1-8H3/t20-,21-,26-,27+,28-,29-,30+,31-,32-,33-,34-,35+,36-,37+,38+,39-,40+/m0/s1 |
| InChIKey | QYBNLYVMQXAIQI-KLDHTXTOSA-N |
| Literature Reference Author | A.ZAMILPA,J.TORTORIELLO,V.NAVARRO,G.DELGADO,L.ALVAREZ |
| Literature Reference Citation | J.NAT.PROD.,65,1815(2002) |
| Literature Reference DOI | 10.1021/np020261h |
| Molecular Weight | 732.909 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16442 |