| SpectraBase Compound ID | 7uMCqSSno9E |
|---|---|
| InChI | InChI=1S/C41H62O12/c1-20-10-15-41(46-19-20)21(2)34-33(53-41)18-30-28-17-32(31-16-27(48-23(4)42)11-13-39(31,8)29(28)12-14-40(30,34)9)52-38-37(51-26(7)45)36(50-25(6)44)35(22(3)47-38)49-24(5)43/h20-22,27-38H,10-19H2,1-9H3/t20-,21-,22-,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40-,41+/m0/s1 |
| InChIKey | JDHYEYDMHGESJO-ACMWTRRXSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C41H62O12 |
| Exact Mass | 746.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BN4cChJVwf0 |
|---|---|
| Name | 6-ALPHA-O-BETA-D-QUINOVOPYRANOSYL-(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-PERACETATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O12 |
| InChI | InChI=1S/C41H62O12/c1-20-10-15-41(46-19-20)21(2)34-33(53-41)18-30-28-17-32(31-16-27(48-23(4)42)11-13-39(31,8)29(28)12-14-40(30,34)9)52-38-37(51-26(7)45)36(50-25(6)44)35(22(3)47-38)49-24(5)43/h20-22,27-38H,10-19H2,1-9H3/t20-,21-,22-,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40-,41+/m0/s1 |
| InChIKey | JDHYEYDMHGESJO-ACMWTRRXSA-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 | 746.936 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16443 |