| SpectraBase Compound ID | 2C0tGkCazYu |
|---|---|
| InChI | InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2/t25-,27?,33+,34+,44+,46?,47?,48?,55?/m0/s1 |
| InChIKey | NIFMLTJCPJDRJC-QODWYABXSA-N |
| Mol Weight | 1194.9 g/mol |
| Molecular Formula | C55H38O31 |
| Exact Mass | 1194.139704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhS8qYDDu4h |
|---|---|
| Name | PSIDININ-C |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H38O31 |
| InChI | InChI=1S/C55H38O31/c56-17-9-26-31(45-13(17)5-25(64)44(82-45)11-1-18(57)35(65)19(58)2-11)33-47-48(85-53(78)16-8-24(63)39(69)42(72)30(16)32-34(54(79)84-47)55(33,86-26)49(74)43(32)73)46-27(81-50(75)12-3-20(59)36(66)21(60)4-12)10-80-51(76)14-6-22(61)37(67)40(70)28(14)29-15(52(77)83-46)7-23(62)38(68)41(29)71/h1-4,6-9,25,27,33-34,44,46-48,56-73H,5,10H2/t25-,27?,33+,34+,44+,46?,47?,48?,55?/m0/s1 |
| InChIKey | NIFMLTJCPJDRJC-QODWYABXSA-N |
| Literature Reference Author | Z.H.JIANG,T.TANAKA,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,62,425(1999) |
| Literature Reference DOI | 10.1021/np980361g |
| Molecular Weight | 1194.888 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWCP7809 |