| SpectraBase Compound ID | 3nBxPVhVofP |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-26(2,34)15-8-9-19(25(32)33)20-12-17-30(7)22-10-11-23-27(3,4)24(31)14-16-28(23,5)21(22)13-18-29(20,30)6/h8,15,19-20,23-24,31,34H,9-14,16-18H2,1-7H3,(H,32,33)/b15-8+/t19?,20-,23+,24+,28-,29-,30+/m1/s1 |
| InChIKey | IUSXZNXAUQWXDI-JMCOZTDXSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GM5AN80p28B |
|---|---|
| Name | SAPONACEOIC-ACID-I;3-BETA,25-DIHYDROXYLANOSTA-8,23E-DIEN-21-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-26(2,34)15-8-9-19(25(32)33)20-12-17-30(7)22-10-11-23-27(3,4)24(31)14-16-28(23,5)21(22)13-18-29(20,30)6/h8,15,19-20,23-24,31,34H,9-14,16-18H2,1-7H3,(H,32,33)/b15-8+/t19?,20-,23+,24+,28-,29-,30+/m1/s1 |
| InChIKey | IUSXZNXAUQWXDI-JMCOZTDXSA-N |
| Literature Reference Author | K.YOSHIKAWA,M.KUROBOSHI,S.ARIHARA,N.MIURA,N.TOJIMURA,K.SAKAM OTO |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1603(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1603 |
| Molecular Weight | 472.709 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20298 |