| SpectraBase Compound ID | Gj6rftm1VcX |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-17(2)18-10-13-36(31(44)46-30-27(40)26(39)25(38)20(16-37)45-30)15-14-33(5)19(23(18)36)8-9-22-34(33,6)12-11-21-32(3,4)28(41)24(29(42)43)35(21,22)7/h18-28,30,37-41H,1,8-16H2,2-7H3,(H,42,43)/t18-,19+,20+,21-,22-,23+,24+,25+,26-,27+,28+,30-,33+,34+,35-,36-/m0/s1 |
| InChIKey | QOSRMLCQZZXJRO-UPHPJQPNSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hwatntaQ68 |
|---|---|
| Name | ISOCEANOTHIC-ACID-28-BETA-GLUCOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-17(2)18-10-13-36(31(44)46-30-27(40)26(39)25(38)20(16-37)45-30)15-14-33(5)19(23(18)36)8-9-22-34(33,6)12-11-21-32(3,4)28(41)24(29(42)43)35(21,22)7/h18-28,30,37-41H,1,8-16H2,2-7H3,(H,42,43)/t18-,19+,20+,21-,22-,23+,24+,25+,26-,27+,28+,30-,33+,34+,35-,36-/m0/s1 |
| InChIKey | QOSRMLCQZZXJRO-UPHPJQPNSA-N |
| Literature Reference Author | S.S.LEE,W.C.SU,K.C.LIU |
| Literature Reference Citation | J.NAT.PROD.,54,615(1991) |
| Literature Reference DOI | 10.1021/np50074a047 |
| Molecular Weight | 648.835 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS289 |