| SpectraBase Compound ID | L8WGZnNreJl |
|---|---|
| InChI | InChI=1S/C46H58O26/c1-18-29(69-33(55)9-5-20-3-7-24(49)26(51)11-20)12-21-22(14-67-44(34(18)21)72-46-42(63)39(60)37(58)30(13-47)70-46)43(64)66-15-27(52)35(56)36(57)28(53)16-68-45-41(62)40(61)38(59)31(71-45)17-65-32(54)8-4-19-2-6-23(48)25(50)10-19/h2-11,14,18,21,27-31,34-42,44-53,56-63H,12-13,15-17H2,1H3/b8-4+,9-5+/t18-,21-,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-,39-,40+,41-,42+,44+,45-,46-/m1/s1 |
| InChIKey | HDNHDPPQIOLQPB-MTKPWOBTSA-N |
| Mol Weight | 1026.9 g/mol |
| Molecular Formula | C46H58O26 |
| Exact Mass | 1026.321632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJVIdpeiAIK |
|---|---|
| Name | LAVAUDIOSIDE_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H58O26 |
| InChI | InChI=1S/C46H58O26/c1-18-29(69-33(55)9-5-20-3-7-24(49)26(51)11-20)12-21-22(14-67-44(34(18)21)72-46-42(63)39(60)37(58)30(13-47)70-46)43(64)66-15-27(52)35(56)36(57)28(53)16-68-45-41(62)40(61)38(59)31(71-45)17-65-32(54)8-4-19-2-6-23(48)25(50)10-19/h2-11,14,18,21,27-31,34-42,44-53,56-63H,12-13,15-17H2,1H3/b8-4+,9-5+/t18-,21-,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-,39-,40+,41-,42+,44+,45-,46-/m1/s1 |
| InChIKey | HDNHDPPQIOLQPB-MTKPWOBTSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,74,1477(2011) |
| Literature Reference DOI | 10.1021/np200233p |
| Molecular Weight | 1026.951 g/mol |
| Sample ID | 38486 |
| Solvent | CD3OD |