| SpectraBase Compound ID | 6WhFuGAYVao |
|---|---|
| InChI | InChI=1S/C64H84O34/c1-16-40-42(45(59(77)79-14)24-86-61(40)97-63-57(92-37(12)73)55(90-35(10)71)53(88-33(8)69)48(95-63)26-83-31(6)67)19-50(75)85-23-44-28(3)18-47(52(44)39(21-81-29(4)65)22-82-30(5)66)94-51(76)20-43-41(17-2)62(87-25-46(43)60(78)80-15)98-64-58(93-38(13)74)56(91-36(11)72)54(89-34(9)70)49(96-64)27-84-32(7)68/h16-17,24-25,28,39,42-44,47-49,52-58,61-64H,18-23,26-27H2,1-15H3/b40-16-,41-17+/t28-,42+,43-,44+,47-,48-,49+,52-,53-,54+,55+,56-,57-,58+,61+,62-,63+,64-/m0/s1 |
| InChIKey | JGIAMTIENYNIES-YEOZKAAPSA-N |
| Mol Weight | 1397.3 g/mol |
| Molecular Formula | C64H84O34 |
| Exact Mass | 1396.4844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rBywZW6ARG |
|---|---|
| Name | CRAIGOSIDE-B-DECA-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H84O34 |
| InChI | InChI=1S/C64H84O34/c1-16-40-42(45(59(77)79-14)24-86-61(40)97-63-57(92-37(12)73)55(90-35(10)71)53(88-33(8)69)48(95-63)26-83-31(6)67)19-50(75)85-23-44-28(3)18-47(52(44)39(21-81-29(4)65)22-82-30(5)66)94-51(76)20-43-41(17-2)62(87-25-46(43)60(78)80-15)98-64-58(93-38(13)74)56(91-36(11)72)54(89-34(9)70)49(96-64)27-84-32(7)68/h16-17,24-25,28,39,42-44,47-49,52-58,61-64H,18-23,26-27H2,1-15H3/b40-16-,41-17+/t28-,42+,43-,44+,47-,48-,49+,52-,53-,54+,55+,56-,57-,58+,61+,62-,63+,64-/m0/s1 |
| InChIKey | JGIAMTIENYNIES-YEOZKAAPSA-N |
| Literature Reference Author | F.R.GALLO,G.PALAZZINO,E.FEDERICI,R.IURILLI,F.D.MONACHE,K.CHI FUNDERA,C.GALEFFI |
| Literature Reference Citation | PHYTOCHEM.,67,504(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.007 |
| Molecular Weight | 1397.351 g/mol |
| Sample ID | 66103 |
| Solvent | Unknown |