| SpectraBase Compound ID | Ie8034yPWVs |
|---|---|
| InChI | InChI=1S/C32H48O7/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(35)39-8)13-16-30(5)27(25(34)17-31(24,30)6)21(28(36)37)10-9-20(3)32(7,38)18-33/h12-13,21-22,25,27,33-34,38H,1,3,9-11,14-18H2,2,4-8H3,(H,36,37)/t21?,22-,25+,27-,29-,30+,31-,32?/m0/s1 |
| InChIKey | VWGBTUVMVDGTRM-XZUPHIJISA-N |
| Mol Weight | 544.7 g/mol |
| Molecular Formula | C32H48O7 |
| Exact Mass | 544.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Vw4sHl7QZn |
|---|---|
| Name | 26-HYDROXYPORICOIC_ACID_DM;METHYL-(20-ZETA)-16-ALPHA,25,27-TRIHYDROXY-24-METHYL-3,4-SECO-LANOSTA-4-(28),7,9-(11),24-(24-(1))-TETRAENE-3,21-DIOIC |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O7 |
| InChI | InChI=1S/C32H48O7/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(35)39-8)13-16-30(5)27(25(34)17-31(24,30)6)21(28(36)37)10-9-20(3)32(7,38)18-33/h12-13,21-22,25,27,33-34,38H,1,3,9-11,14-18H2,2,4-8H3,(H,36,37)/t21?,22-,25+,27-,29-,30+,31-,32?/m0/s1 |
| InChIKey | VWGBTUVMVDGTRM-XZUPHIJISA-N |
| Literature Reference Author | T.AKIHISA,E.UCHIYAMA,T.KIKUCHI,H.TOKUDA,T.SUZUKI,Y.KIMURA |
| Literature Reference Citation | J.NAT.PROD.,72,1786(2009) |
| Literature Reference DOI | 10.1021/np9003239 |
| Molecular Weight | 544.729 g/mol |
| Sample ID | 33665 |
| Solvent | C5D5N |