| SpectraBase Compound ID | 7fVNvphb97x |
|---|---|
| InChI | InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)8-11-57(75-5)22(2)35-30(86-57)13-26-24-7-6-23-12-29(27(62)14-56(23,4)25(24)9-10-55(26,35)3)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)28(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22+,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 | OHUANDSGGHTLAK-CLYISNEOSA-N |
| Mol Weight | 1245.4 g/mol |
| Molecular Formula | C57H96O29 |
| Exact Mass | 1244.603727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfQkoy2DXiq |
|---|---|
| Name | 22-METHYLPARVISPINOSIDE_A;#3;(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-[BET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H96O29 |
| InChI | InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)8-11-57(75-5)22(2)35-30(86-57)13-26-24-7-6-23-12-29(27(62)14-56(23,4)25(24)9-10-55(26,35)3)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)28(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22+,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 | OHUANDSGGHTLAK-CLYISNEOSA-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 | 1245.372 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ13023 |