![EPIBREYNIN_G;BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL](/api/spectrum/ALUlxXdEcxf/structure.png?h=300&w=458 "EPIBREYNIN_G;BETA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL")
| SpectraBase Compound ID | 8IZc7u3Y1AS |
|---|---|
| InChI | InChI=1S/C46H66O27S/c1-14-12-63-45(10-21(14)67-39(59)18-5-7-19(48)8-6-18)44(60)46(61)24(49)9-20-23(13-74(62)37(20)38(46)73-45)69-42-35(31(56)27(52)17(4)66-42)71-43-36(72-41-33(58)30(55)26(51)16(3)65-41)34(28(53)22(11-47)68-43)70-40-32(57)29(54)25(50)15(2)64-40/h5-8,14-17,20-38,40-43,47-58,61H,9-13H2,1-4H3/t14-,15-,16-,17+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34-,35+,36+,37+,38-,40-,41-,42-,43-,45+,46-,74?/m1/s1 |
| InChIKey | YOINERIUJCXCQM-YFAOSFPRSA-N |
| Mol Weight | 1083.1 g/mol |
| Molecular Formula | C46H66O27S |
| Exact Mass | 1082.351218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALUlxXdEcxf |
|---|---|
| Name | BREYNIN_G;ALPHA-SULFOXIDEBREYNOGENIN_3-O-[ALPHA-RHAMNOPYRANOSYL-(1->3)]-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSYL-(1->2) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H66O27S |
| InChI | InChI=1S/C46H66O27S/c1-14-12-63-45(10-21(14)67-39(59)18-5-7-19(48)8-6-18)44(60)46(61)24(49)9-20-23(13-74(62)37(20)38(46)73-45)69-42-35(31(56)27(52)17(4)66-42)71-43-36(72-41-33(58)30(55)26(51)16(3)65-41)34(28(53)22(11-47)68-43)70-40-32(57)29(54)25(50)15(2)64-40/h5-8,14-17,20-38,40-43,47-58,61H,9-13H2,1-4H3/t14-,15-,16-,17+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34-,35+,36+,37+,38-,40-,41-,42-,43-,45+,46-,74?/m1/s1 |
| InChIKey | YOINERIUJCXCQM-YFAOSFPRSA-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 | 1083.074 g/mol |
| Sample ID | 30309 |
| Solvent | CD3OD |