| SpectraBase Compound ID | KasHNyyDGEa |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21-,24+,26-,28-,29+,30-/m0/s1 |
| InChIKey | VPTZOSBKEDUOFE-DWSDSBKUSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WzhqznYLcM |
|---|---|
| Name | PORICOIC-ACID-G;16-ALPHA-HYDROXY-3,4-SECO-LANOSTA-4(28),8,24-TRIENE-3,21-DIOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21-,24+,26-,28-,29+,30-/m0/s1 |
| InChIKey | VPTZOSBKEDUOFE-DWSDSBKUSA-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 | 486.692 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5530 |