| SpectraBase Compound ID | aTh3F9H1t7 |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)12-14-42(36(52)53)15-13-40(6)19(20(42)16-37)8-9-24-39(5)17-21(44)32(38(3,4)23(39)10-11-41(24,40)7)57-35-29(49)30(28(48)31(56-35)33(50)51)55-34-27(47)26(46)25(45)22(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32-,34-,35-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SFJJTULZNZSYDZ-CPLMEDSNSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BveSbera3if |
|---|---|
| Name | CARYOCAROSIDE_IV-7;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL-2-BETA-HYDROXYOLEANOLIC_ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)12-14-42(36(52)53)15-13-40(6)19(20(42)16-37)8-9-24-39(5)17-21(44)32(38(3,4)23(39)10-11-41(24,40)7)57-35-29(49)30(28(48)31(56-35)33(50)51)55-34-27(47)26(46)25(45)22(18-43)54-34/h8,20-32,34-35,43-49H,9-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,32-,34-,35-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SFJJTULZNZSYDZ-CPLMEDSNSA-N |
| Literature Reference Author | A.A.MAGID,L.VOUTQUENNE,C.MORETTI,C.LONG,C.LAVAUD |
| Literature Reference Citation | J.NAT.PROD.,69,196(2006) |
| Literature Reference DOI | 10.1021/np050336s |
| Molecular Weight | 810.977 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ18494 |