| SpectraBase Compound ID | 7FMRVMJW4il |
|---|---|
| InChI | InChI=1S/C27H40O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h4,6,15-16,18-25,28,30-33H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| InChIKey | GITMCXDSAKMGOI-LBXKHCNYSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C27H40O8 |
| Exact Mass | 492.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zqOZOgXBb7 |
|---|---|
| Name | TUPICHININ-A;1-BETA-HYDROXYPREGNA-5,16-DIEN-3-BETA-OL-20-ONE-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O8 |
| InChI | InChI=1S/C27H40O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h4,6,15-16,18-25,28,30-33H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| InChIKey | GITMCXDSAKMGOI-LBXKHCNYSA-N |
| Literature Reference Author | W.B.PAN,L.M.WEI,L.L.WEI,Y.C.WU |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,954(2006) |
| Literature Reference DOI | 10.1248/cpb.54.954 |
| Molecular Weight | 492.610 g/mol |
| Sample ID | 37174 |
| Solvent | CD3OD |