| SpectraBase Compound ID | K9pkJeNfzQV |
|---|---|
| InChI | InChI=1S/C64H80O34/c1-30(2)23-64(98-62-59(92-42(14)76)56(89-39(11)73)53(86-36(8)70)49(97-62)29-81-33(5)67,63(78)83-26-44-17-21-46(22-18-44)94-61-58(91-41(13)75)55(88-38(10)72)52(85-35(7)69)48(96-61)28-80-32(4)66)24-50(77)82-25-43-15-19-45(20-16-43)93-60-57(90-40(12)74)54(87-37(9)71)51(84-34(6)68)47(95-60)27-79-31(3)65/h15-22,30,47-49,51-62H,23-29H2,1-14H3/t47-,48+,49-,51-,52+,53-,54+,55-,56+,57-,58+,59-,60-,61+,62+,64-/m1/s1 |
| InChIKey | IFCHCTXEPKYBPT-CXSCRSIUSA-N |
| Mol Weight | 1393.3 g/mol |
| Molecular Formula | C64H80O34 |
| Exact Mass | 1392.4531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mmhqVSXnE1 |
|---|---|
| Name | GYMNOSIDE-VIII-PERACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H80O34 |
| InChI | InChI=1S/C64H80O34/c1-30(2)23-64(98-62-59(92-42(14)76)56(89-39(11)73)53(86-36(8)70)49(97-62)29-81-33(5)67,63(78)83-26-44-17-21-46(22-18-44)94-61-58(91-41(13)75)55(88-38(10)72)52(85-35(7)69)48(96-61)28-80-32(4)66)24-50(77)82-25-43-15-19-45(20-16-43)93-60-57(90-40(12)74)54(87-37(9)71)51(84-34(6)68)47(95-60)27-79-31(3)65/h15-22,30,47-49,51-62H,23-29H2,1-14H3/t47-,48+,49-,51-,52+,53-,54+,55-,56+,57-,58+,59-,60-,61+,62+,64-/m1/s1 |
| InChIKey | IFCHCTXEPKYBPT-CXSCRSIUSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,H.MATSUDA,T.WANG,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,506(2006) |
| Literature Reference DOI | 10.1248/cpb.54.506 |
| Molecular Weight | 1393.319 g/mol |
| Sample ID | 36961 |
| Solvent | C5D5N |