| SpectraBase Compound ID | 4jMh35SsLMP |
|---|---|
| InChI | InChI=1S/C42H70O12/c1-21(2)22-10-15-42(20-51-36-34(49)32(47)30(45)24(18-43)52-36)17-16-40(6)23(29(22)42)8-9-27-39(5)13-12-28(38(3,4)26(39)11-14-41(27,40)7)54-37-35(50)33(48)31(46)25(19-44)53-37/h22-37,43-50H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,39-,40+,41+,42+/m0/s1 |
| InChIKey | WOWJNFXVCONMSV-NGZHEIBDSA-N |
| Mol Weight | 767.0 g/mol |
| Molecular Formula | C42H70O12 |
| Exact Mass | 766.486728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zfczQ0mjlS |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYLBETULIN_3-BETA-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 21A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O12 |
| InChI | InChI=1S/C42H70O12/c1-21(2)22-10-15-42(20-51-36-34(49)32(47)30(45)24(18-43)52-36)17-16-40(6)23(29(22)42)8-9-27-39(5)13-12-28(38(3,4)26(39)11-14-41(27,40)7)54-37-35(50)33(48)31(46)25(19-44)53-37/h22-37,43-50H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,39-,40+,41+,42+/m0/s1 |
| InChIKey | WOWJNFXVCONMSV-NGZHEIBDSA-N |
| Literature Reference Author | C.GAUTHIER,J.LEGAULT,S.LAVOIE,S.RONDEAU,S.TREMBLAY,A.PICHETT E |
| Literature Reference Citation | J.NAT.PROD.,72,72(2009) |
| Literature Reference DOI | 10.1021/np800579x |
| Molecular Weight | 767.011 g/mol |
| Sample ID | 32016 |
| Solvent | C5D5N |