SpectraBase Compound ID | FoOBNuDsvWc |
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InChI | InChI=1S/C64H98O26/c1-31-52(87-46-26-39(77-9)53(32(2)81-46)88-47-27-40(78-10)54(33(3)82-47)89-58-51(71)56(79-11)55(34(4)83-58)90-57-50(70)49(69)48(68)41(30-65)85-57)38(76-8)25-45(80-31)84-37-19-20-59(6)42-28-43(86-44(67)18-17-36-15-13-12-14-16-36)60(7)62(73,35(5)66)23-24-64(60,75)63(42,74)22-21-61(59,72)29-37/h12-18,21-22,31-35,37-43,45-58,65-66,68-75H,19-20,23-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,35+,37+,38+,39-,40-,41-,42-,43-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64-/m1/s1 |
InChIKey | PTXQACZIRXKHDA-WZGSKJDHSA-N |
Mol Weight | 1283.5 g/mol |
Molecular Formula | C64H98O26 |
Exact Mass | 1282.634633 g/mol |
SpectraBase Spectrum ID | 3oToG00sVZx |
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Name | GYMNEPREGOSIDE-J;#4;12-O-(E)-CINNAMOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C64H98O26 |
InChI | InChI=1S/C64H98O26/c1-31-52(87-46-26-39(77-9)53(32(2)81-46)88-47-27-40(78-10)54(33(3)82-47)89-58-51(71)56(79-11)55(34(4)83-58)90-57-50(70)49(69)48(68)41(30-65)85-57)38(76-8)25-45(80-31)84-37-19-20-59(6)42-28-43(86-44(67)18-17-36-15-13-12-14-16-36)60(7)62(73,35(5)66)23-24-64(60,75)63(42,74)22-21-61(59,72)29-37/h12-18,21-22,31-35,37-43,45-58,65-66,68-75H,19-20,23-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,35+,37+,38+,39-,40-,41-,42-,43-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64-/m1/s1 |
InChIKey | PTXQACZIRXKHDA-WZGSKJDHSA-N |
Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,K.TAKAHASHI,M.TANAKA,S.ARIHARA,H.C. CHANG,J.D.WANG |
Literature Reference Citation | CHEM.PHARM.BULL.,47,798(1999) |
Literature Reference DOI | 10.1248/cpb.47.798 |
Molecular Weight | 1283.467 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU8033 |