| SpectraBase Compound ID | BVvahh5FeL5 |
|---|---|
| InChI | InChI=1S/C47H76O19/c1-42(2)11-13-47(41(59)60)14-12-45(5)21(22(47)15-42)7-8-28-43(3)16-23(51)37(44(4,20-50)27(43)9-10-46(28,45)6)66-40-34(58)36(31(55)26(18-49)63-40)65-39-33(57)35(30(54)25(17-48)62-39)64-38-32(56)29(53)24(52)19-61-38/h7,22-40,48-58H,8-20H2,1-6H3,(H,59,60)/t22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | PIHWKASRFIISRT-DQAHKKQRSA-N |
| Mol Weight | 945.1 g/mol |
| Molecular Formula | C47H76O19 |
| Exact Mass | 944.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gZn9zvSnj7 |
|---|---|
| Name | CARYOCAROSIDE_III-4;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLBAYOGENIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O19 |
| InChI | InChI=1S/C47H76O19/c1-42(2)11-13-47(41(59)60)14-12-45(5)21(22(47)15-42)7-8-28-43(3)16-23(51)37(44(4,20-50)27(43)9-10-46(28,45)6)66-40-34(58)36(31(55)26(18-49)63-40)65-39-33(57)35(30(54)25(17-48)62-39)64-38-32(56)29(53)24(52)19-61-38/h7,22-40,48-58H,8-20H2,1-6H3,(H,59,60)/t22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1 |
| InChIKey | PIHWKASRFIISRT-DQAHKKQRSA-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 | 945.109 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18491 |