| SpectraBase Compound ID | 34ZwbCNZk2X |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-18(2)19-10-13-36(31(42)43)15-14-33(5)20(26(19)36)8-9-23-34(33,6)12-11-22-32(3,4)46-24(35(22,23)7)16-25(38)45-30-29(41)28(40)27(39)21(17-37)44-30/h19-24,26-30,37,39-41H,1,8-17H2,2-7H3,(H,42,43)/t19-,20+,21-,22-,23-,24+,26+,27-,28+,29-,30+,33+,34+,35-,36-/m0/s1 |
| InChIKey | OHJNQGJFEVHLHX-RMBCOSNLSA-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 | 66y2rXttdsg |
|---|---|
| Name | ACANTHOSESSILIOSIDE_D;(1-R)-1,4-EPOXY-3,4-SECO-LUP-20-(30)-ENE-3,28-DIOIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-18(2)19-10-13-36(31(42)43)15-14-33(5)20(26(19)36)8-9-23-34(33,6)12-11-22-32(3,4)46-24(35(22,23)7)16-25(38)45-30-29(41)28(40)27(39)21(17-37)44-30/h19-24,26-30,37,39-41H,1,8-17H2,2-7H3,(H,42,43)/t19-,20+,21-,22-,23-,24+,26+,27-,28+,29-,30+,33+,34+,35-,36-/m0/s1 |
| InChIKey | OHJNQGJFEVHLHX-RMBCOSNLSA-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 | 648.835 g/mol |
| Sample ID | 41140 |
| Solvent | C5D5N |