| SpectraBase Compound ID | Ie5k2MnmKS4 |
|---|---|
| InChI | InChI=1S/C31H46O5/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/h11-12,18,21-22,25,27,32H,3,5,9-10,13-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChIKey | HYCQUZBUDTVVSJ-KGXQETAESA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C31H46O5 |
| Exact Mass | 498.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQi9X85PEjR |
|---|---|
| Name | 6,7-DEHYDROPORICOIC_ACID_H;(20-ZETA)-16-ALPHA-HYDROXY-3,4-SECO-24-METHYLLANOSTA-4-(28),6,8,24-(24-(1))-TETRAENE-3,21-DIOIC_ACID |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O5 |
| InChI | InChI=1S/C31H46O5/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/h11-12,18,21-22,25,27,32H,3,5,9-10,13-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChIKey | HYCQUZBUDTVVSJ-KGXQETAESA-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 | 498.703 g/mol |
| Sample ID | 33669 |
| Solvent | C5D5N |