| SpectraBase Compound ID | K5XcPgkVwni |
|---|---|
| InChI | InChI=1S/C37H58O9/c1-18(2)19(3)9-10-24(34(42)43)27-14-13-26-23-11-12-25-20(4)33(46-35-32(41)31(40)30(39)21(5)44-35)29(45-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,43)/t20-,21-,24?,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1 |
| InChIKey | LOHRCIAMXCCSQS-XSBTZHGPSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C37H58O9 |
| Exact Mass | 646.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6tD9tt7ZQg1 |
|---|---|
| Name | FRUTICOSIDE_D;4-ALPHA-METHYL-2-ALPHA-ACETOXY-5-ALPHA-ERGOST-7,24-(28)-DIEN-21-OIC_ACID_3-BETA-O-ALPHA-L-QUINOVOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O9 |
| InChI | InChI=1S/C37H58O9/c1-18(2)19(3)9-10-24(34(42)43)27-14-13-26-23-11-12-25-20(4)33(46-35-32(41)31(40)30(39)21(5)44-35)29(45-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,43)/t20-,21-,24?,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1 |
| InChIKey | LOHRCIAMXCCSQS-XSBTZHGPSA-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 | 646.862 g/mol |
| Sample ID | 38210 |
| Solvent | DMSO-D6 |