| SpectraBase Compound ID | FeN7ZdxKIxH |
|---|---|
| InChI | InChI=1S/C51H82O20/c1-24-40(54)45(62-12)41(55)46(66-24)71-44-27(4)65-39(22-34(44)61-11)70-43-26(3)64-38(21-33(43)60-10)69-42-25(2)63-37(20-32(42)59-9)68-31-14-15-47(7)30(19-31)13-16-50(57)35(47)23-36(67-29(6)53)48(8)49(56,28(5)52)17-18-51(48,50)58/h13,24-27,31-46,54-58H,14-23H2,1-12H3/t24-,25+,26-,27+,31-,32-,33-,34+,35?,36+,37-,38+,39-,40+,41-,42+,43-,44+,45+,46+,47-,48+,49+,50-,51+/m0/s1 |
| InChIKey | HIAVWJNFTOHYFM-REVNNXALSA-N |
| Mol Weight | 1015.2 g/mol |
| Molecular Formula | C51H82O20 |
| Exact Mass | 1014.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCiptsAUwUY |
|---|---|
| Name | METAPLEXIGENIN_3-O-BETA-DIGITALOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPY |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O20 |
| InChI | InChI=1S/C51H82O20/c1-24-40(54)45(62-12)41(55)46(66-24)71-44-27(4)65-39(22-34(44)61-11)70-43-26(3)64-38(21-33(43)60-10)69-42-25(2)63-37(20-32(42)59-9)68-31-14-15-47(7)30(19-31)13-16-50(57)35(47)23-36(67-29(6)53)48(8)49(56,28(5)52)17-18-51(48,50)58/h13,24-27,31-46,54-58H,14-23H2,1-12H3/t24-,25+,26-,27+,31-,32-,33-,34+,35?,36+,37-,38+,39-,40+,41-,42+,43-,44+,45+,46+,47-,48+,49+,50-,51+/m0/s1 |
| InChIKey | HIAVWJNFTOHYFM-REVNNXALSA-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 | 1015.200 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18261 |