| SpectraBase Compound ID | F12PDAmhMDS |
|---|---|
| InChI | InChI=1S/C39H64O15/c1-16-14-50-39(12-24(16)51-36-34(48)32(46)30(44)26(53-36)15-49-35-33(47)31(45)29(43)25(13-40)52-35)17(2)28-23(54-39)11-22-20-6-5-18-9-19(41)10-27(42)38(18,4)21(20)7-8-37(22,28)3/h16-36,40-48H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | SLOFALMFNGCPNN-KEUPDXKMSA-N |
| Mol Weight | 772.9 g/mol |
| Molecular Formula | C39H64O15 |
| Exact Mass | 772.424521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HmW2hFn2pFp |
|---|---|
| Name | WATTOSIDE-I;(24S,25S)-1-BETA,2-BETA-DIHYDROXY-5-BETA-SPIROSTAN-24-YL-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H64O15 |
| InChI | InChI=1S/C39H64O15/c1-16-14-50-39(12-24(16)51-36-34(48)32(46)30(44)26(53-36)15-49-35-33(47)31(45)29(43)25(13-40)52-35)17(2)28-23(54-39)11-22-20-6-5-18-9-19(41)10-27(42)38(18,4)21(20)7-8-37(22,28)3/h16-36,40-48H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | SLOFALMFNGCPNN-KEUPDXKMSA-N |
| Literature Reference Author | P.SHEN,S.L.WANG,X.K.LIU,C.R.YANG,B.CAI,X.S.YAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,305(2003) |
| Literature Reference DOI | 10.1248/cpb.51.305 |
| Molecular Weight | 772.928 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21190 |