| SpectraBase Compound ID | BWKzNZbMSXJ |
|---|---|
| InChI | InChI=1S/C30H50O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,18-22,24,31-33,35-36H,10-16H2,1-8H3/t18-,19-,20+,21-,22+,24+,27?,28?,29?,30?/m1/s1 |
| InChIKey | SIZMFLORRGZXPU-SKVKRNGTSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C30H50O6 |
| Exact Mass | 506.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIiuaXBkf5U |
|---|---|
| Name | (22S)-3-ALPHA,16-ALPHA,20,22,25-PENTAHYDROXY-(10-ALPHA)-CUCURBIT-5-EN-11-ONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O6 |
| InChI | InChI=1S/C30H50O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,18-22,24,31-33,35-36H,10-16H2,1-8H3/t18-,19-,20+,21-,22+,24+,27?,28?,29?,30?/m1/s1 |
| InChIKey | SIZMFLORRGZXPU-SKVKRNGTSA-N |
| Literature Reference Author | H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ |
| Literature Reference Citation | PHYTOCHEM.,33,437(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85535-Y |
| Molecular Weight | 506.723 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN6419 |