| SpectraBase Compound ID | 76sPPISNJmc |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-19(2)21-10-15-36(32(43)45-31-30(42)29(41)28(40)24(18-37)44-31)17-16-34(6)23(27(21)36)8-9-25-33(5,13-12-26(38)39)22(20(3)4)11-14-35(25,34)7/h21-25,27-31,37,40-42H,1,3,8-18H2,2,4-7H3,(H,38,39)/t21-,22-,23+,24+,25+,27+,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 |
| InChIKey | GLRHOGWDMAVPRF-PEBBSWCFSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I14WEEogSjo |
|---|---|
| Name | ACANTHOSESSILIOSIDE_A;3,4-SECO-LUPA-4-(23),20-(30)-DIENE-3,28-DIOIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-19(2)21-10-15-36(32(43)45-31-30(42)29(41)28(40)24(18-37)44-31)17-16-34(6)23(27(21)36)8-9-25-33(5,13-12-26(38)39)22(20(3)4)11-14-35(25,34)7/h21-25,27-31,37,40-42H,1,3,8-18H2,2,4-7H3,(H,38,39)/t21-,22-,23+,24+,25+,27+,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 |
| InChIKey | GLRHOGWDMAVPRF-PEBBSWCFSA-N |
| Literature Reference Author | D.Y.LEE,K.H.SEO,D.S.LEE,Y.C.KIM,I.S.CHUNG,G.W.KIM,D.S.CHEOI, N.I.BAEK |
| Literature Reference Citation | J.NAT.PROD.,75,1138(2012) |
| Literature Reference DOI | 10.1021/np3002173 |
| Molecular Weight | 632.835 g/mol |
| Sample ID | 41136 |
| Solvent | C5D5N |