SpectraBase Compound ID | IEtAZBjP9e6 |
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InChI | InChI=1S/C50H56O16/c1-45(2)34-10-13-50(7)35(48(34,5)12-11-36(45)66-44(64)31-21-27(40(57)58)25(38(53)54)19-29(31)42(61)62)9-8-32-33-22-46(3,14-15-47(33,4)16-17-49(32,50)6)23-65-43(63)30-20-26(39(55)56)24(37(51)52)18-28(30)41(59)60/h8-9,18-21,34-36H,10-17,22-23H2,1-7H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t34-,35+,36-,46-,47?,48?,49?,50?/m0/s1 |
InChIKey | BWMJYNVYCQDYIK-GRLJKPMMSA-N |
Mol Weight | 913.0 g/mol |
Molecular Formula | C50H56O16 |
Exact Mass | 912.356836 g/mol |
SpectraBase Spectrum ID | 4XcBYsmpBxl |
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Name | 3-BETA,30-O-BIS-(2,4,5-TRICARBOXYBENZENCARBONYL)-OLEAN-11,13(18)-DIEN |
Compound Number | 8 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C50H56O16 |
InChI | InChI=1S/C50H56O16/c1-45(2)34-10-13-50(7)35(48(34,5)12-11-36(45)66-44(64)31-21-27(40(57)58)25(38(53)54)19-29(31)42(61)62)9-8-32-33-22-46(3,14-15-47(33,4)16-17-49(32,50)6)23-65-43(63)30-20-26(39(55)56)24(37(51)52)18-28(30)41(59)60/h8-9,18-21,34-36H,10-17,22-23H2,1-7H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t34-,35+,36-,46-,47?,48?,49?,50?/m0/s1 |
InChIKey | BWMJYNVYCQDYIK-GRLJKPMMSA-N |
Literature Reference Author | M.TSUKAHARA,T.NISHINO,I.FURUHASHI,H.INOUE,T.SATO,H.MATSUMOTO |
Literature Reference Citation | CHEM.PHARM.BULL.,53,1103(2005) |
Literature Reference DOI | 10.1248/cpb.53.1103 |
Molecular Weight | 912.985 g/mol |
Sample ID | 54162 |
Solvent | C5D5N |