| SpectraBase Compound ID | 54RWV317xN2 |
|---|---|
| InChI | InChI=1S/C54H46O25/c55-29-7-1-21(13-33(29)59)15-37(48(66)67)76-39(63)11-5-23-17-27-41(24-3-9-31(57)35(61)19-24)44(50(70)71)43(23)47(65)52(27)78-53(74)28-18-26(6-12-40(64)77-38(49(68)69)16-22-2-8-30(56)34(60)14-22)46(54(53,75)79-52)45(51(72)73)42(28)25-4-10-32(58)36(62)20-25/h1-14,17-20,27-28,37-38,41-46,55-62,74-75H,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+,52+,53-,54+/m0/s1 |
| InChIKey | UYOUXKDGHGVDEM-GSUBHMGPSA-N |
| Mol Weight | 1094.9 g/mol |
| Molecular Formula | C54H46O25 |
| Exact Mass | 1094.232817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hQdDAg8Tvh |
|---|---|
| Name | YUNNANEIC-ACID-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H46O25 |
| InChI | InChI=1S/C54H46O25/c55-29-7-1-21(13-33(29)59)15-37(48(66)67)76-39(63)11-5-23-17-27-41(24-3-9-31(57)35(61)19-24)44(50(70)71)43(23)47(65)52(27)78-53(74)28-18-26(6-12-40(64)77-38(49(68)69)16-22-2-8-30(56)34(60)14-22)46(54(53,75)79-52)45(51(72)73)42(28)25-4-10-32(58)36(62)20-25/h1-14,17-20,27-28,37-38,41-46,55-62,74-75H,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+,52+,53-,54+/m0/s1 |
| InChIKey | UYOUXKDGHGVDEM-GSUBHMGPSA-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 | 1094.944 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWRK832 |