| SpectraBase Compound ID | 1rCdavY2Owq |
|---|---|
| InChI | InChI=1S/C31H46O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21?,22?,25-,27+,29+,30-,31+/m1/s1 |
| InChIKey | KBQBNLHZTLWXML-FBQFVMMVSA-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 | 55dTmoqrNnx |
|---|---|
| Name | PORICOIC_ACID_BM |
| Compound Number | 4 |
| 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)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21?,22?,25-,27+,29+,30-,31+/m1/s1 |
| InChIKey | KBQBNLHZTLWXML-FBQFVMMVSA-N |
| Literature Reference Author | T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI |
| Literature Reference Citation | PHYTOCHEM.,39,1165(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00110-S |
| Molecular Weight | 498.703 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7792 |