| SpectraBase Compound ID | HYtPswOUgQS |
|---|---|
| InChI | InChI=1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-24-22-25-28(16-31,39-25)26(34)30(37)20(14-18(4)23(30)33)29(22,36)19(5)15-27(24,35)17(2)3/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,22?,24-,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GTNHSMYOEDNTOZ-OKWQVJADSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C30H42O9 |
| Exact Mass | 546.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6PebAtsOd6 |
|---|---|
| Name | VESICULOSIN |
| Comments | *** Assignment error - check entry manually |
| Compound Number | 548 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-24-22-25-28(16-31,39-25)26(34)30(37)20(14-18(4)23(30)33)29(22,36)19(5)15-27(24,35)17(2)3/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,22?,24-,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GTNHSMYOEDNTOZ-OKWQVJADSA-N |
| Literature Reference | NAT.PROD.VOL.2 A.UR-RAHMAN,V.U.AHMAD |
| Solvent | Chloroform-d |