| SpectraBase Compound ID | I8P5HkHUSvz |
|---|---|
| InChI | InChI=1S/C57H44O32/c58-11-26-40(69)46(75)48(77)57(86-26)85-25-10-16(35(64)15-4-2-1-3-14(15)25)31-33-34-32(44(73)47(76)45(33)74)30-19(9-24(63)39(68)43(30)72)55(81)89-51(50(31)88-56(34)82)49-27(84-52(78)13-5-20(59)36(65)21(60)6-13)12-83-53(79)17-7-22(61)37(66)41(70)28(17)29-18(54(80)87-49)8-23(62)38(67)42(29)71/h1-10,26-27,31,40,46,48-51,57-77H,11-12H2/t26-,27?,31+,40-,46+,48-,49?,50?,51?,57-/m1/s1 |
| InChIKey | KKVVHEIWULTLAR-ZXBPLWFRSA-N |
| Mol Weight | 1240.9 g/mol |
| Molecular Formula | C57H44O32 |
| Exact Mass | 1240.181569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtQvPsp5W3k |
|---|---|
| Name | RHOIPTELEANIN-I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H44O32 |
| InChI | InChI=1S/C57H44O32/c58-11-26-40(69)46(75)48(77)57(86-26)85-25-10-16(35(64)15-4-2-1-3-14(15)25)31-33-34-32(44(73)47(76)45(33)74)30-19(9-24(63)39(68)43(30)72)55(81)89-51(50(31)88-56(34)82)49-27(84-52(78)13-5-20(59)36(65)21(60)6-13)12-83-53(79)17-7-22(61)37(66)41(70)28(17)29-18(54(80)87-49)8-23(62)38(67)42(29)71/h1-10,26-27,31,40,46,48-51,57-77H,11-12H2/t26-,27?,31+,40-,46+,48-,49?,50?,51?,57-/m1/s1 |
| InChIKey | KKVVHEIWULTLAR-ZXBPLWFRSA-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 | 1240.957 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWCP7806 |