| SpectraBase Compound ID | EUr0zAybDTh |
|---|---|
| InChI | InChI=1S/C39H62O16/c1-15(41)25-23(42)13-22-20-7-6-18-12-19(8-10-38(18,4)21(20)9-11-39(22,25)5)52-37-34(55-36-32(49)30(47)27(44)17(3)51-36)33(28(45)24(14-40)53-37)54-35-31(48)29(46)26(43)16(2)50-35/h6,16-17,19-37,40,42-49H,7-14H2,1-5H3/t16-,17+,19-,20+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39-/m0/s1 |
| InChIKey | PBCBTCDATQNDRS-UQWQNPORSA-N |
| Mol Weight | 786.9 g/mol |
| Molecular Formula | C39H62O16 |
| Exact Mass | 786.403786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1mVEjBy7S4 |
|---|---|
| Name | 3-O-BETA-CHACOTROSYL-PREGNA-5-EN-3-BETA,16-BETA-DIOL-20-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O16 |
| InChI | InChI=1S/C39H62O16/c1-15(41)25-23(42)13-22-20-7-6-18-12-19(8-10-38(18,4)21(20)9-11-39(22,25)5)52-37-34(55-36-32(49)30(47)27(44)17(3)51-36)33(28(45)24(14-40)53-37)54-35-31(48)29(46)26(43)16(2)50-35/h6,16-17,19-37,40,42-49H,7-14H2,1-5H3/t16-,17+,19-,20+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39-/m0/s1 |
| InChIKey | PBCBTCDATQNDRS-UQWQNPORSA-N |
| Literature Reference Author | M.ONO,Y.UENOSONO,H.UMAOKA,Y.SHIONO,T.IKEDA,M.OKAWA,J.KINJO,H .YOSHIMITSZ,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,759(2009) |
| Literature Reference DOI | 10.1248/cpb.57.759 |
| Molecular Weight | 786.912 g/mol |
| Sample ID | 2804 |
| Solvent | C5D5N |