| SpectraBase Compound ID | 7LWn3tq2s9z |
|---|---|
| InChI | InChI=1S/C31H46O5/c1-19(2)22-11-12-25-24(29(22,6)16-15-26(32)33)14-18-30(7)23(13-17-31(25,30)8)21(27(34)35)10-9-20(3)28(4,5)36/h12,14,21-23,36H,1,3,9-11,13,15-18H2,2,4-8H3,(H,32,33)(H,34,35)/t21?,22-,23+,29-,30+,31-/m0/s1 |
| InChIKey | HHZQHKPGFJOQSU-MOLUDBHFSA-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 | IAN35R98WMk |
|---|---|
| Name | 25-HYDROXYPORICOIC_ACID_C;(20-ZETA)-25-HYDROXY-24-METHYL-3,4-SECO-LANOSTA-4-(28),7,9-(11),24-(24-(1))-TETRAENE-3,21-DIOIC_ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O5 |
| InChI | InChI=1S/C31H46O5/c1-19(2)22-11-12-25-24(29(22,6)16-15-26(32)33)14-18-30(7)23(13-17-31(25,30)8)21(27(34)35)10-9-20(3)28(4,5)36/h12,14,21-23,36H,1,3,9-11,13,15-18H2,2,4-8H3,(H,32,33)(H,34,35)/t21?,22-,23+,29-,30+,31-/m0/s1 |
| InChIKey | HHZQHKPGFJOQSU-MOLUDBHFSA-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 | 33666 |
| Solvent | C5D5N |