SpectraBase Compound ID | 66cErB94Pkv |
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InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-37(63)40(42(65)66)73-45(38(39)64)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-46-41(34(60)32(58)26(20-54)70-46)74-43-35(61)31(57)25(55)21-68-43/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24?,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
InChIKey | VAPKQMXDFDAIIA-CECKNZPXSA-N |
Mol Weight | 1073.2 g/mol |
Molecular Formula | C53H84O22 |
Exact Mass | 1072.545424 g/mol |
SpectraBase Spectrum ID | KnT9WCImNfg |
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Name | 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-3-BETA-HYDROXYOLEAN-12-EN-28-OATE;CO |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C53H84O22 |
InChI | InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-37(63)40(42(65)66)73-45(38(39)64)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-46-41(34(60)32(58)26(20-54)70-46)74-43-35(61)31(57)25(55)21-68-43/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24?,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
InChIKey | VAPKQMXDFDAIIA-CECKNZPXSA-N |
Literature Reference Author | O.P.SATI,S.BAHUGUNA,S.UNIYAL,J.SAKAKIBARA,T.KAIYA,A.NAKAMURA |
Literature Reference Citation | J.NAT.PROD.,53,466(1990) |
Literature Reference DOI | 10.1021/np50068a029 |
Molecular Weight | 1073.237 g/mol |
Solvent | CD3OD |
Source File Reference | UWCS13256 |