| SpectraBase Compound ID | FCHcJZcsnNc |
|---|---|
| InChI | InChI=1S/C70H101NO26/c1-35-58(94-52-30-45(83-9)59(36(2)87-52)95-53-31-46(84-10)60(37(3)88-53)96-65-57(77)62(85-11)61(38(4)89-65)97-64-56(76)55(75)54(74)47(34-72)92-64)44(82-8)29-51(86-35)91-43-22-23-66(6)42(28-43)21-24-69(80)48(66)32-49(93-50(73)20-19-40-16-13-12-14-17-40)67(7)68(79,25-26-70(67,69)81)39(5)90-63(78)41-18-15-27-71-33-41/h12-21,27,33,35-39,43-49,51-62,64-65,72,74-77,79-81H,22-26,28-32,34H2,1-11H3/b20-19+/t35-,36+,37-,38+,39?,43+,44+,45-,46+,47-,48?,49-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60-,61+,62+,64+,65-,66+,67-,68?,69+,70-/m1/s1 |
| InChIKey | XWYKEVQMIMWYRI-NQYKVFLKSA-N |
| Mol Weight | 1372.6 g/mol |
| Molecular Formula | C70H101NO26 |
| Exact Mass | 1371.661182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmHoJNcLCtH |
|---|---|
| Name | 12-O-CINNAMOYL-20-O-NICTONIOYLSARCOSTIN_BETA-D-GLUCOPYANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H101NO26 |
| InChI | InChI=1S/C70H101NO26/c1-35-58(94-52-30-45(83-9)59(36(2)87-52)95-53-31-46(84-10)60(37(3)88-53)96-65-57(77)62(85-11)61(38(4)89-65)97-64-56(76)55(75)54(74)47(34-72)92-64)44(82-8)29-51(86-35)91-43-22-23-66(6)42(28-43)21-24-69(80)48(66)32-49(93-50(73)20-19-40-16-13-12-14-17-40)67(7)68(79,25-26-70(67,69)81)39(5)90-63(78)41-18-15-27-71-33-41/h12-21,27,33,35-39,43-49,51-62,64-65,72,74-77,79-81H,22-26,28-32,34H2,1-11H3/b20-19+/t35-,36+,37-,38+,39?,43+,44+,45-,46+,47-,48?,49-,51+,52-,53+,54-,55+,56-,57+,58-,59+,60-,61+,62+,64+,65-,66+,67-,68?,69+,70-/m1/s1 |
| InChIKey | XWYKEVQMIMWYRI-NQYKVFLKSA-N |
| Literature Reference Author | G.CIOFFI,R.SANOGO,A.VASSALLO,F.D.PIAZ,G.AUTORE,S.MARZOCCO,N. DETOMMASI |
| Literature Reference Citation | J.NAT.PROD.,69,625(2006) |
| Literature Reference DOI | 10.1021/np050493r |
| Molecular Weight | 1372.563 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18246 |