| SpectraBase Compound ID | ARoOkcbai3G |
|---|---|
| InChI | InChI=1S/C62H98O27/c1-11-12-13-14-36(67)85-51-50(77)62(25-80-27(3)65)29(21-57(51,4)5)28-15-16-33-59(8)19-18-35(58(6,7)32(59)17-20-60(33,9)61(28,10)22-34(62)66)84-56-49(89-54-44(75)41(72)38(69)30(23-63)82-54)46(45(76)47(87-56)52(78)79)86-55-48(42(73)39(70)31(24-64)83-55)88-53-43(74)40(71)37(68)26(2)81-53/h13-15,26,29-35,37-51,53-56,63-64,66,68-77H,11-12,16-25H2,1-10H3,(H,78,79)/b14-13-/t26-,29-,30-,31+,32-,33+,34+,35-,37-,38-,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50-,51-,53-,54+,55-,56+,59-,60+,61+,62-/m0/s1 |
| InChIKey | UHZXCEMVIMFRAD-MJGPJLLISA-N |
| Mol Weight | 1275.4 g/mol |
| Molecular Formula | C62H98O27 |
| Exact Mass | 1274.629548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nwNRQqIdHN |
|---|---|
| Name | JEGOSAPONIN-D;BARRINGTOGENOL-C-21-O-(2Z)-HEXENOYL-28-O-ACETYL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H98O27 |
| InChI | InChI=1S/C62H98O27/c1-11-12-13-14-36(67)85-51-50(77)62(25-80-27(3)65)29(21-57(51,4)5)28-15-16-33-59(8)19-18-35(58(6,7)32(59)17-20-60(33,9)61(28,10)22-34(62)66)84-56-49(89-54-44(75)41(72)38(69)30(23-63)82-54)46(45(76)47(87-56)52(78)79)86-55-48(42(73)39(70)31(24-64)83-55)88-53-43(74)40(71)37(68)26(2)81-53/h13-15,26,29-35,37-51,53-56,63-64,66,68-77H,11-12,16-25H2,1-10H3,(H,78,79)/b14-13-/t26-,29-,30-,31+,32-,33+,34+,35-,37-,38-,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50-,51-,53-,54+,55-,56+,59-,60+,61+,62-/m0/s1 |
| InChIKey | UHZXCEMVIMFRAD-MJGPJLLISA-N |
| Literature Reference Author | K.YOSHIKAWA,H.HIRAI,M.TANAKA,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1093(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1093 |
| Molecular Weight | 1275.444 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4419 |