| SpectraBase Compound ID | GnYWV15A5w2 |
|---|---|
| InChI | InChI=1S/C64H98O26/c1-30-51(87-44-27-39(77-9)52(31(2)81-44)88-45-28-40(78-10)53(32(3)82-45)89-59-49(71)55(79-11)54(33(4)83-59)90-58-48(70)47(69)46(68)41(29-65)85-58)38(76-8)26-43(80-30)84-37-20-21-60(6)36(25-37)19-22-63(74)56(60)50(72)57(86-42(67)18-17-35-15-13-12-14-16-35)61(7)62(73,34(5)66)23-24-64(61,63)75/h12-19,30-34,37-41,43-59,65-66,68-75H,20-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34?,37+,38+,39-,40-,41-,43+,44-,45+,46-,47+,48-,49+,50+,51-,52+,53-,54+,55+,56?,57-,58+,59-,60+,61-,62?,63+,64-/m1/s1 |
| InChIKey | IQYFJUGLVHHMBV-BYKJAGFUSA-N |
| Mol Weight | 1283.5 g/mol |
| Molecular Formula | C64H98O26 |
| Exact Mass | 1282.634633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TcpGaHHI4V |
|---|---|
| Name | 11-ALPHA-HYDROXY-12-BETA-O-CINNAMOYLSARCOSTIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDRO |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H98O26 |
| InChI | InChI=1S/C64H98O26/c1-30-51(87-44-27-39(77-9)52(31(2)81-44)88-45-28-40(78-10)53(32(3)82-45)89-59-49(71)55(79-11)54(33(4)83-59)90-58-48(70)47(69)46(68)41(29-65)85-58)38(76-8)26-43(80-30)84-37-20-21-60(6)36(25-37)19-22-63(74)56(60)50(72)57(86-42(67)18-17-35-15-13-12-14-16-35)61(7)62(73,34(5)66)23-24-64(61,63)75/h12-19,30-34,37-41,43-59,65-66,68-75H,20-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34?,37+,38+,39-,40-,41-,43+,44-,45+,46-,47+,48-,49+,50+,51-,52+,53-,54+,55+,56?,57-,58+,59-,60+,61-,62?,63+,64-/m1/s1 |
| InChIKey | IQYFJUGLVHHMBV-BYKJAGFUSA-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 | 1283.467 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18248 |