![VIARUMACID_B;1-BETA,4-BETA-DIHYDROXY-3-BETA-CARBOXYACETOXY-5-ALPHA-{[3-[4-[1-BETA-(6-O-(5-(E)-CAFFEOYLQUINIC_ACID)-BETA-D-GLUCOPYRANOSYL)-OXY]-](/api/spectrum/AngNkOuAC2y/structure.png?h=300&w=458 "VIARUMACID_B;1-BETA,4-BETA-DIHYDROXY-3-BETA-CARBOXYACETOXY-5-ALPHA-{[3-[4-[1-BETA-(6-O-(5-(E)-CAFFEOYLQUINIC_ACID)-BETA-D-GLUCOPYRANOSYL)-OXY]-")
| SpectraBase Compound ID | GNgjotn08am |
|---|---|
| InChI | InChI=1S/C41H46O25/c42-19-5-1-17(9-20(19)43)3-7-29(48)62-24-15-41(60,12-22(45)32(24)51)39(58)61-16-27-34(53)35(54)36(55)37(66-27)65-23-6-2-18(10-21(23)44)4-8-30(49)63-25-13-40(59,38(56)57)14-26(33(25)52)64-31(50)11-28(46)47/h1-10,22,24-27,32-37,42-45,51-55,59-60H,11-16H2,(H,46,47)(H,56,57)/b7-3+,8-4+/t22-,24+,25-,26-,27-,32-,33+,34-,35+,36-,37-,40-,41+/m1/s1 |
| InChIKey | DHPNADKGHOWBIT-GXTUTOQJSA-N |
| Mol Weight | 938.8 g/mol |
| Molecular Formula | C41H46O25 |
| Exact Mass | 938.232817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AngNkOuAC2y |
|---|---|
| Name | VIARUMACID_B;1-BETA,4-BETA-DIHYDROXY-3-BETA-CARBOXYACETOXY-5-ALPHA-{[3-[4-[1-BETA-(6-O-(5-(E)-CAFFEOYLQUINIC_ACID)-BETA-D-GLUCOPYRANOSYL)-OXY]- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H46O25 |
| InChI | InChI=1S/C41H46O25/c42-19-5-1-17(9-20(19)43)3-7-29(48)62-24-15-41(60,12-22(45)32(24)51)39(58)61-16-27-34(53)35(54)36(55)37(66-27)65-23-6-2-18(10-21(23)44)4-8-30(49)63-25-13-40(59,38(56)57)14-26(33(25)52)64-31(50)11-28(46)47/h1-10,22,24-27,32-37,42-45,51-55,59-60H,11-16H2,(H,46,47)(H,56,57)/b7-3+,8-4+/t22-,24+,25-,26-,27-,32-,33+,34-,35+,36-,37-,40-,41+/m1/s1 |
| InChIKey | DHPNADKGHOWBIT-GXTUTOQJSA-N |
| Literature Reference Author | S.B.WU,R.S.MEYER,B.D.WHITAKER,A.LITT,E.J.KENNELLY |
| Literature Reference Citation | J.NAT.PROD.,75,2246(2012) |
| Literature Reference DOI | 10.1021/np300553t |
| Molecular Weight | 938.801 g/mol |
| Sample ID | 42110 |
| Solvent | CD3OD |