| SpectraBase Compound ID | ASPpJMrRXpD |
|---|---|
| InChI | InChI=1S/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3/t22-,23+,24+,25+,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+,51+,52-,53-,54-,55+,56+,57-/m1/s1 |
| InChIKey | QOKZNLCOQRNCTQ-MEGJSDQVSA-N |
| Mol Weight | 1229.4 g/mol |
| Molecular Formula | C57H96O28 |
| Exact Mass | 1228.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ab88gUZDdJM |
|---|---|
| Name | 22-O-METHYLPARVISPINOSIDE_B;#4;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-5-ALPHA-FUROSTAN-3-BETA,22-ALPHA,26-TRIOL_3-O-{BETA-D-GALACTOPYRANOSYL-(1->2)-O- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H96O28 |
| InChI | InChI=1S/C57H96O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h22-54,58-73H,6-21H2,1-5H3/t22-,23+,24+,25+,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+,51+,52-,53-,54-,55+,56+,57-/m1/s1 |
| InChIKey | QOKZNLCOQRNCTQ-MEGJSDQVSA-N |
| Literature Reference Author | A.PERRONE,A.PLAZA,E.BLOISE,P.NIGRO,A.I.HAMED,M.A.BELISARIO,C .PIZZA,S.PIACENTE |
| Literature Reference Citation | J.NAT.PROD.,68,1549(2005) |
| Literature Reference DOI | 10.1021/np0502138 |
| Molecular Weight | 1229.372 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13024 |