| SpectraBase Compound ID | 1bQMqnTZ5Et |
|---|---|
| InChI | InChI=1S/C54H46O24/c55-29-7-1-21(13-33(29)59)15-37(49(66)67)75-39(63)11-5-23-18-28-42(25-4-10-32(58)36(62)20-25)44(51(70)71)43(23)47(65)54(28)77-48-27-17-26(6-12-40(64)76-38(50(68)69)16-22-2-8-30(56)34(60)14-22)46(53(48,74)78-54)45(52(72)73)41(27)24-3-9-31(57)35(61)19-24/h1-14,17-20,27-28,37-38,41-46,48,55-62,74H,15-16H2,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/b11-5+,12-6+/t27-,28-,37?,38?,41+,42+,43+,44-,45-,46+,48?,53+,54-/m0/s1 |
| InChIKey | WLRPCCKPZVGSQJ-FNEPOZDFSA-N |
| Mol Weight | 1078.9 g/mol |
| Molecular Formula | C54H46O24 |
| Exact Mass | 1078.237902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9Hjup7kdzm |
|---|---|
| Name | YUNNANEIC-ACID-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H46O24 |
| InChI | InChI=1S/C54H46O24/c55-29-7-1-21(13-33(29)59)15-37(49(66)67)75-39(63)11-5-23-18-28-42(25-4-10-32(58)36(62)20-25)44(51(70)71)43(23)47(65)54(28)77-48-27-17-26(6-12-40(64)76-38(50(68)69)16-22-2-8-30(56)34(60)14-22)46(53(48,74)78-54)45(52(72)73)41(27)24-3-9-31(57)35(61)19-24/h1-14,17-20,27-28,37-38,41-46,48,55-62,74H,15-16H2,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/b11-5+,12-6+/t27-,28-,37?,38?,41+,42+,43+,44-,45-,46+,48?,53+,54-/m0/s1 |
| InChIKey | WLRPCCKPZVGSQJ-FNEPOZDFSA-N |
| Literature Reference Author | T.TANAKA,A.NISHIMURA,I.KUONO,G.I.NONAKA,T.J.YOUNG |
| Literature Reference Citation | J.NAT.PROD.,59,843(1996) |
| Literature Reference DOI | 10.1021/np960425s |
| Molecular Weight | 1078.945 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRK831 |