| SpectraBase Compound ID | JPjc5n9zzRb |
|---|---|
| InChI | InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(117-67(105)16-3-25(78)46(90)26(79)4-16)64(119-68(106)17-5-27(80)47(91)28(81)6-17)65(75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)121-73(111)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)72(110)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36-,43+,60-,61-,62+,63+,64+,65-,75+/m0/s1 |
| InChIKey | XHQYOOKVUXMDOV-MYDGBDGASA-N |
| Mol Weight | 1707.2 g/mol |
| Molecular Formula | C75H54O47 |
| Exact Mass | 1706.183539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji6ApGyvLRO |
|---|---|
| Name | PAEONIANIN-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H54O47 |
| InChI | InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(117-67(105)16-3-25(78)46(90)26(79)4-16)64(119-68(106)17-5-27(80)47(91)28(81)6-17)65(75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)121-73(111)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)72(110)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36-,43+,60-,61-,62+,63+,64+,65-,75+/m0/s1 |
| InChIKey | XHQYOOKVUXMDOV-MYDGBDGASA-N |
| Literature Reference Author | T.TANAKA,M.FUKUMORI,T.OCHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,66,759(2003) |
| Literature Reference DOI | 10.1021/np020608g |
| Molecular Weight | 1707.226 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWSI7832 |