| SpectraBase Compound ID | kpGMU9IGrr |
|---|---|
| InChI | InChI=1S/C45H72O12/c1-12-32(25(2)3)14-13-26(4)35-15-16-36-34-18-22-45(57-31(9)50)23-33(17-21-44(45,11)37(34)19-20-43(35,36)10)55-42-41(54-30(8)49)40(53-29(7)48)39(52-28(6)47)38(56-42)24-51-27(5)46/h25-26,32-42H,12-24H2,1-11H3/t26?,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+/m0/s1 |
| InChIKey | QSFOMQWPJGVJML-HUZQNHNLSA-N |
| Mol Weight | 805.1 g/mol |
| Molecular Formula | C45H72O12 |
| Exact Mass | 804.502378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2N56WJrec0v |
|---|---|
| Name | STIGMASTA-3-ALPHA,5-ALPHA-DIOL-3-O-BETA-D-GLUCOPYRANOSIDE-TETRAACETATE |
| Compound Number | 15-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O12 |
| InChI | InChI=1S/C45H72O12/c1-12-32(25(2)3)14-13-26(4)35-15-16-36-34-18-22-45(57-31(9)50)23-33(17-21-44(45,11)37(34)19-20-43(35,36)10)55-42-41(54-30(8)49)40(53-29(7)48)39(52-28(6)47)38(56-42)24-51-27(5)46/h25-26,32-42H,12-24H2,1-11H3/t26?,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+/m0/s1 |
| InChIKey | QSFOMQWPJGVJML-HUZQNHNLSA-N |
| Literature Reference Author | J.M.FANG,K.C.WANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,30,3383(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83214-6 |
| Molecular Weight | 805.059 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23333 |