| SpectraBase Compound ID | 4kMbL2WQ513 |
|---|---|
| InChI | InChI=1S/C30H32O15/c1-13-23(35)24(36)26(38)29(41-13)40-12-20-28(45-22(34)8-4-14-2-6-16(31)7-3-14)25(37)27(39)30(44-20)43-19-11-18-15(10-17(19)32)5-9-21(33)42-18/h2-11,13,20,23-32,35-39H,12H2,1H3/b8-4+/t13-,20-,23-,24+,25-,26+,27-,28-,29+,30-/m1/s1 |
| InChIKey | IUAFFNUYWLTDSI-BXCHMJDQSA-N |
| Mol Weight | 632.6 g/mol |
| Molecular Formula | C30H32O15 |
| Exact Mass | 632.17412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdSdnJtc6CI |
|---|---|
| Name | ISOBAISSEOSIDE-4'-P-COUMARATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H32O15 |
| InChI | InChI=1S/C30H32O15/c1-13-23(35)24(36)26(38)29(41-13)40-12-20-28(45-22(34)8-4-14-2-6-16(31)7-3-14)25(37)27(39)30(44-20)43-19-11-18-15(10-17(19)32)5-9-21(33)42-18/h2-11,13,20,23-32,35-39H,12H2,1H3/b8-4+/t13-,20-,23-,24+,25-,26+,27-,28-,29+,30-/m1/s1 |
| InChIKey | IUAFFNUYWLTDSI-BXCHMJDQSA-N |
| Literature Reference Author | S.D.SARKER,P.G.WATERMAN,J.A.ARMSTRONG |
| Literature Reference Citation | J.NAT.PROD.,58,1109(1995) |
| Literature Reference DOI | 10.1021/np50121a023 |
| Molecular Weight | 632.575 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP6674 |