| SpectraBase Compound ID | AvKDNTdopTL |
|---|---|
| InChI | InChI=1S/C57H79NO18/c1-31-46(60)50(68-9)47(61)52(71-31)76-49-33(3)70-45(28-40(49)67-8)75-48-32(2)69-44(27-39(48)66-7)73-38-20-21-53(5)37(26-38)19-22-56(64)41(53)29-42(74-43(59)18-17-35-14-11-10-12-15-35)54(6)55(63,23-24-57(54,56)65)34(4)72-51(62)36-16-13-25-58-30-36/h10-19,25,30-34,38-42,44-50,52,60-61,63-65H,20-24,26-29H2,1-9H3/b18-17+/t31-,32-,33+,34+,38+,39+,40-,41-,42-,44+,45-,46-,47-,48-,49+,50+,52+,53+,54-,55-,56+,57-/m1/s1 |
| InChIKey | ZYUKYMTWUYYTPY-LDPORKFISA-N |
| Mol Weight | 1066.2 g/mol |
| Molecular Formula | C57H79NO18 |
| Exact Mass | 1065.529715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnfwDj2TG8Z |
|---|---|
| Name | STEPHANOSIDE_H;12-O-CINNAMOYL-20-O-NICOTINOYLSARCOSTIN_3-O-BETA-D-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H79NO18 |
| InChI | InChI=1S/C57H79NO18/c1-31-46(60)50(68-9)47(61)52(71-31)76-49-33(3)70-45(28-40(49)67-8)75-48-32(2)69-44(27-39(48)66-7)73-38-20-21-53(5)37(26-38)19-22-56(64)41(53)29-42(74-43(59)18-17-35-14-11-10-12-15-35)54(6)55(63,23-24-57(54,56)65)34(4)72-51(62)36-16-13-25-58-30-36/h10-19,25,30-34,38-42,44-50,52,60-61,63-65H,20-24,26-29H2,1-9H3/b18-17+/t31-,32-,33+,34+,38+,39+,40-,41-,42-,44+,45-,46-,47-,48-,49+,50+,52+,53+,54-,55-,56+,57-/m1/s1 |
| InChIKey | ZYUKYMTWUYYTPY-LDPORKFISA-N |
| Literature Reference Author | K.YOSHIKAWA,N.OKADA,Y.KANN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1790(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1790 |
| Molecular Weight | 1066.250 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19573 |