| SpectraBase Compound ID | 91NiATsJ9b2 |
|---|---|
| InChI | InChI=1S/C65H92O22/c1-34-53(68)58(77-11)54(69)60(81-34)87-57-37(4)80-52(32-46(57)76-10)86-56-36(3)79-51(31-45(56)75-9)85-55-35(2)78-50(30-44(55)74-8)83-43-23-24-61(6)41(29-43)22-25-64(72)47(61)33-48(84-49(67)21-20-39-16-13-12-14-17-39)62(7)63(71,26-27-65(62,64)73)38(5)82-59(70)40-18-15-19-42(66)28-40/h12-22,28,34-38,43-48,50-58,60,66,68-69,71-73H,23-27,29-33H2,1-11H3/b21-20+/t34-,35+,36-,37+,38?,43-,44-,45-,46+,47?,48?,50-,51+,52-,53-,54-,55+,56-,57+,58-,60+,61-,62+,63-,64-,65+/m0/s1 |
| InChIKey | OERJCBYFBFVSSR-ZVVOJCQISA-N |
| Mol Weight | 1225.4 g/mol |
| Molecular Formula | C65H92O22 |
| Exact Mass | 1224.608025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYpYL5fBXcp |
|---|---|
| Name | #39;3-(6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL)-12-O-CINNAMOYL-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H92O22 |
| InChI | InChI=1S/C65H92O22/c1-34-53(68)58(77-11)54(69)60(81-34)87-57-37(4)80-52(32-46(57)76-10)86-56-36(3)79-51(31-45(56)75-9)85-55-35(2)78-50(30-44(55)74-8)83-43-23-24-61(6)41(29-43)22-25-64(72)47(61)33-48(84-49(67)21-20-39-16-13-12-14-17-39)62(7)63(71,26-27-65(62,64)73)38(5)82-59(70)40-18-15-19-42(66)28-40/h12-22,28,34-38,43-48,50-58,60,66,68-69,71-73H,23-27,29-33H2,1-11H3/b21-20+/t34-,35+,36-,37+,38?,43-,44-,45-,46+,47?,48?,50-,51+,52-,53-,54-,55+,56-,57+,58-,60+,61-,62+,63-,64-,65+/m0/s1 |
| InChIKey | OERJCBYFBFVSSR-ZVVOJCQISA-N |
| Literature Reference Author | R.AQUINO,G.PELUSO,N.DETOMMASI,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,59,555(1996) |
| Literature Reference DOI | 10.1021/np960251e |
| Molecular Weight | 1225.432 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK851 |