| SpectraBase Compound ID | 331kfgdH9wz |
|---|---|
| InChI | InChI=1S/C33H42O16/c1-15-25(38)29(48-23(37)9-6-17-4-7-19(42-3)8-5-17)30(45-16(2)36)33(44-15)46-21-12-18(13-34)24-20(21)10-11-43-31(24)49-32-28(41)27(40)26(39)22(14-35)47-32/h4-12,15,20-22,24-35,38-41H,13-14H2,1-3H3/b9-6+/t15-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1 |
| InChIKey | BADKXBCMNFRJEP-ODVDSCLLSA-N |
| Mol Weight | 694.7 g/mol |
| Molecular Formula | C33H42O16 |
| Exact Mass | 694.247285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1pi1y5dABz |
|---|---|
| Name | 6-O-(2''-O-ACETYL-3''-O-PARA-METHOXY-TRANS-CINNAMOYL)-RHAMNOPYRANOSYLAUCUBIN |
| Compound Number | 72 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O16 |
| InChI | InChI=1S/C33H42O16/c1-15-25(38)29(48-23(37)9-6-17-4-7-19(42-3)8-5-17)30(45-16(2)36)33(44-15)46-21-12-18(13-34)24-20(21)10-11-43-31(24)49-32-28(41)27(40)26(39)22(14-35)47-32/h4-12,15,20-22,24-35,38-41H,13-14H2,1-3H3/b9-6+/t15-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30+,31+,32-,33-/m1/s1 |
| InChIKey | BADKXBCMNFRJEP-ODVDSCLLSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 694.687 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16066 |