| SpectraBase Compound ID | A9WtxF46Fcs |
|---|---|
| InChI | InChI=1S/C58H94O27/c1-23-33(64)36(67)39(70)46(79-23)77-21-57(75)22-78-50(44(57)73)82-42-24(2)80-47(41(72)38(42)69)83-43-34(65)28(62)19-76-49(43)85-51(74)58-14-13-52(3,4)15-26(58)25-9-10-31-53(5)16-27(61)45(84-48-40(71)37(68)35(66)29(18-59)81-48)54(6,20-60)30(53)11-12-55(31,7)56(25,8)17-32(58)63/h9,23-24,26-50,59-73,75H,10-22H2,1-8H3/t23-,24+,26?,27+,28+,29-,30?,31?,32-,33-,34+,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-,53+,54+,55-,56-,57+,58-/m1/s1 |
| InChIKey | NSIMUJYDRJYVGP-SSZPBOMWSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C58H94O27 |
| Exact Mass | 1222.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15dlzVDefXP |
|---|---|
| Name | DURANTANIN-I;POLYGALACIC-ACID-3-O-BETA-D-GLUCOPYRANOSIDO-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3')-BETA-D-APIOFURANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O27 |
| InChI | InChI=1S/C58H94O27/c1-23-33(64)36(67)39(70)46(79-23)77-21-57(75)22-78-50(44(57)73)82-42-24(2)80-47(41(72)38(42)69)83-43-34(65)28(62)19-76-49(43)85-51(74)58-14-13-52(3,4)15-26(58)25-9-10-31-53(5)16-27(61)45(84-48-40(71)37(68)35(66)29(18-59)81-48)54(6,20-60)30(53)11-12-55(31,7)56(25,8)17-32(58)63/h9,23-24,26-50,59-73,75H,10-22H2,1-8H3/t23-,24+,26?,27+,28+,29-,30?,31?,32-,33-,34+,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-,53+,54+,55-,56-,57+,58-/m1/s1 |
| InChIKey | NSIMUJYDRJYVGP-SSZPBOMWSA-N |
| Literature Reference Author | S.HIRADATE,H.YADA,T.ISHII,N.NAKAJIMA,M.OHNISHI-KAMEYAMA,H.SU GIE,S.ZUNGSONTIPORN, |
| Literature Reference Citation | PHYTOCHEM.,52,1223(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00408-2 |
| Molecular Weight | 1223.368 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN406 |