| SpectraBase Compound ID | ExBitetkAun |
|---|---|
| InChI | InChI=1S/C31H48O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChIKey | GKXXWKRLARTIQL-RFPQCRKCSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C31H48O5 |
| Exact Mass | 500.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Flu49Qsdfpd |
|---|---|
| Name | PORICOIC-ACID-H;16-ALPHA-HYDROXY-3,4-SECO-24-METHYLLANOSTA-4(28),8,24(24(1))-TRIENE-3,21-DIOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O5 |
| InChI | InChI=1S/C31H48O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h18,21-22,25,27,32H,3,5,9-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChIKey | GKXXWKRLARTIQL-RFPQCRKCSA-N |
| Literature Reference Author | M.UKIYA,T.AKIHISA,H.TOKUDA,M.HIRANO,M.OSHIKUBO,Y.NOBUKUNI,Y. KIMURA,T.TAI,S.KONDO |
| Literature Reference Citation | J.NAT.PROD.,65,462(2002) |
| Literature Reference DOI | 10.1021/np0103721 |
| Molecular Weight | 500.719 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5531 |