| SpectraBase Compound ID | 6YZGEUUYOeh |
|---|---|
| InChI | InChI=1S/C58H90O29/c1-20-30(63)34(67)42(84-47-39(72)40(26(61)19-79-47)82-46-37(70)32(65)25(60)18-78-46)49(80-20)85-43-35(68)31(64)21(2)81-50(43)87-52(77)58-14-13-53(3,4)15-23(58)22-9-10-27-54(5)16-24(59)44(86-48-38(71)33(66)36(69)41(83-48)45(73)74)57(8,51(75)76)28(54)11-12-55(27,6)56(22,7)17-29(58)62/h9,20-21,23-44,46-50,59-72H,10-19H2,1-8H3,(H,73,74)(H,75,76)/t20-,21-,23?,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44-,46-,47-,48-,49+,50+,54+,55+,56+,57-,58+/m0/s1 |
| InChIKey | DPBXIHJKNCYHRH-BPOYGVTDSA-N |
| Mol Weight | 1251.3 g/mol |
| Molecular Formula | C58H90O29 |
| Exact Mass | 1250.556777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOgFOOylSjD |
|---|---|
| Name | #3;ZANHASAPONIN-C;3-O-BETA-D-GLUCURONOPYRANOSYL-2-BETA,16-ALPHA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1-3)-BETA-D-XYLOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O29 |
| InChI | InChI=1S/C58H90O29/c1-20-30(63)34(67)42(84-47-39(72)40(26(61)19-79-47)82-46-37(70)32(65)25(60)18-78-46)49(80-20)85-43-35(68)31(64)21(2)81-50(43)87-52(77)58-14-13-53(3,4)15-23(58)22-9-10-27-54(5)16-24(59)44(86-48-38(71)33(66)36(69)41(83-48)45(73)74)57(8,51(75)76)28(54)11-12-55(27,6)56(22,7)17-29(58)62/h9,20-21,23-44,46-50,59-72H,10-19H2,1-8H3,(H,73,74)(H,75,76)/t20-,21-,23?,24-,25+,26+,27?,28?,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44-,46-,47-,48-,49+,50+,54+,55+,56+,57-,58+/m0/s1 |
| InChIKey | DPBXIHJKNCYHRH-BPOYGVTDSA-N |
| Literature Reference Author | M.J.CUELLAR,R.M.GINER,M.D.C.RECIO,M.J.JUST,S.MANEZ,J.L.RIOS, A.R.BILIA,J.MSONTHI, |
| Literature Reference Citation | J.NAT.PROD.,60,191(1997) |
| Literature Reference DOI | 10.1021/np960527i |
| Molecular Weight | 1251.335 g/mol |
| Solvent | CD3OD:ACOD=9:1 |
| Source File Reference | UWCP85 |