| SpectraBase Compound ID | 460R8AqYOIc |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(50)51)25(38)9-12-40(24,39)5)56-34-31(49)32(28(46)23(19-44)55-34)57-33-30(48)29(47)27(45)22(18-43)54-33/h7,21-34,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | OEQVPYGPIHCRPA-MWSHDVCJSA-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 | HGcMYIVU4S0 |
|---|---|
| Name | CARYOCAROSIDE_V_1;3-O-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLGYPSOGENIC_ACID |
| Compound Number | 1 |
| 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)13-15-42(36(52)53)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(50)51)25(38)9-12-40(24,39)5)56-34-31(49)32(28(46)23(19-44)55-34)57-33-30(48)29(47)27(45)22(18-43)54-33/h7,21-34,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,34-,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | OEQVPYGPIHCRPA-MWSHDVCJSA-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 | CD3OD |
| Source File Reference | UWMZ18484 |