| SpectraBase Compound ID | AhOg7GdMzyt |
|---|---|
| InChI | InChI=1S/C40H56O22S/c1-13-11-54-39(9-19(13)57-34(51)16-4-6-17(42)7-5-16)38(52)40(53)22(43)8-18-21(12-63-32(18)33(40)62-39)59-37-31(27(48)24(45)15(3)56-37)61-36-29(50)30(25(46)20(10-41)58-36)60-35-28(49)26(47)23(44)14(2)55-35/h4-7,13-15,18-33,35-37,41-50,53H,8-12H2,1-3H3/t13-,14-,15+,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,35-,36-,37-,39+,40-/m1/s1 |
| InChIKey | TUVJAMYHJQCTQZ-SWGKESCSSA-N |
| Mol Weight | 920.9 g/mol |
| Molecular Formula | C40H56O22S |
| Exact Mass | 920.298395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJiFIOs24z5 |
|---|---|
| Name | BREYNIN_C;BREYNOGENIN_3-O-ALPHA-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-QUINOVOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O22S |
| InChI | InChI=1S/C40H56O22S/c1-13-11-54-39(9-19(13)57-34(51)16-4-6-17(42)7-5-16)38(52)40(53)22(43)8-18-21(12-63-32(18)33(40)62-39)59-37-31(27(48)24(45)15(3)56-37)61-36-29(50)30(25(46)20(10-41)58-36)60-35-28(49)26(47)23(44)14(2)55-35/h4-7,13-15,18-33,35-37,41-50,53H,8-12H2,1-3H3/t13-,14-,15+,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,35-,36-,37-,39+,40-/m1/s1 |
| InChIKey | TUVJAMYHJQCTQZ-SWGKESCSSA-N |
| Literature Reference Author | D.MENG,W.CHEN,W.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,70,824(2007) |
| Literature Reference DOI | 10.1021/np0606300 |
| Molecular Weight | 920.931 g/mol |
| Sample ID | 30302 |
| Solvent | CD3OD |