| SpectraBase Compound ID | CLBZaVtI7IN |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-16(2)17(3)7-8-20(27(32)33)23-12-11-22-19-9-10-21-18(4)26(31)25(30)15-29(21,6)24(19)13-14-28(22,23)5/h9,16,18,20-26,30-31H,3,7-8,10-15H2,1-2,4-6H3,(H,32,33)/t18-,20?,21-,22-,23+,24-,25+,26+,28-,29-/m0/s1 |
| InChIKey | AYCQAFSTPBCSLH-FXCOVARRSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdJj6zt1nnN |
|---|---|
| Name | FRUTICOSIDE_B;4-ALPHA-METHYL-2-ALPHA,3-BETA-DIHYDROXY-5-ALPHA-ERGOST-7,24-(28)-DIEN-21-OIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-16(2)17(3)7-8-20(27(32)33)23-12-11-22-19-9-10-21-18(4)26(31)25(30)15-29(21,6)24(19)13-14-28(22,23)5/h9,16,18,20-26,30-31H,3,7-8,10-15H2,1-2,4-6H3,(H,32,33)/t18-,20?,21-,22-,23+,24-,25+,26+,28-,29-/m0/s1 |
| InChIKey | AYCQAFSTPBCSLH-FXCOVARRSA-N |
| Literature Reference Author | Y.P.LIU,X.H.CAI,T.FENG,Y.LI,X.N.LI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,74,1161(2011) |
| Literature Reference DOI | 10.1021/np2000914 |
| Molecular Weight | 458.682 g/mol |
| Sample ID | 38208 |
| Solvent | CDCl3:CD3OD |