| SpectraBase Compound ID | 2UQbzzrQVMD |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(33)34)16-14-29(6)19(20(31)18-26)17-21(35-8)24-28(5)11-10-23(32)27(3,4)22(28)9-12-30(24,29)7/h17,20-24,32H,9-16,18H2,1-8H3,(H,33,34)/t20-,21+,22-,23+,24+,28-,29+,30+,31-/m0/s1 |
| InChIKey | XPGFAFLAVZYSFJ-AJNNAGPSSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUG5hSoPpAn |
|---|---|
| Name | FATSICARPAIN_F;3-ALPHA-HYDROXY-11-ALPHA-METHOXYOLEAN-12-EN-28-OIC_ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(33)34)16-14-29(6)19(20(31)18-26)17-21(35-8)24-28(5)11-10-23(32)27(3,4)22(28)9-12-30(24,29)7/h17,20-24,32H,9-16,18H2,1-8H3,(H,33,34)/t20-,21+,22-,23+,24+,28-,29+,30+,31-/m0/s1 |
| InChIKey | XPGFAFLAVZYSFJ-AJNNAGPSSA-N |
| Literature Reference Author | S.Y.CHENG,C.M.WANG,Y.M.HSU,T.J.HUANG,S.C.CHOU,E.H.LIN,C.H.CH OU |
| Literature Reference Citation | J.NAT.PROD.,74,1744(2011) |
| Literature Reference DOI | 10.1021/np2002435 |
| Molecular Weight | 486.736 g/mol |
| Sample ID | 39102 |
| Solvent | CDCl3 |