| SpectraBase Compound ID | KajYvAXQMyE |
|---|---|
| InChI | InChI=1S/C54H54O11/c1-64-48-32-47(61)50(46(36-15-26-43(59)27-16-36)4-2-3-39(55)19-6-34-9-22-41(57)23-10-34)53(63)51(48)52(62)49-38(14-5-33-7-20-40(56)21-8-33)31-45(30-13-35-11-24-42(58)25-12-35)65-54(49)37-17-28-44(60)29-18-37/h2,4-5,7-12,14-18,20-29,32,38-39,45-46,49,54-61,63H,3,6,13,19,30-31H2,1H3/b4-2+,14-5-/t38-,39-,45+,46?,49+,54+/m1/s1 |
| InChIKey | ZSUGETUQFKRFKC-NKGRBZDPSA-N |
| Mol Weight | 879.0 g/mol |
| Molecular Formula | C54H54O11 |
| Exact Mass | 878.366613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MET4SaujXh |
|---|---|
| Name | BLEPHAROCALYXIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H54O11 |
| InChI | InChI=1S/C54H54O11/c1-64-48-32-47(61)50(46(36-15-26-43(59)27-16-36)4-2-3-39(55)19-6-34-9-22-41(57)23-10-34)53(63)51(48)52(62)49-38(14-5-33-7-20-40(56)21-8-33)31-45(30-13-35-11-24-42(58)25-12-35)65-54(49)37-17-28-44(60)29-18-37/h2,4-5,7-12,14-18,20-29,32,38-39,45-46,49,54-61,63H,3,6,13,19,30-31H2,1H3/b4-2+,14-5-/t38-,39-,45+,46?,49+,54+/m1/s1 |
| InChIKey | ZSUGETUQFKRFKC-NKGRBZDPSA-N |
| Literature Reference Author | J.K.PRASAIN,J.X.LI,Y.TEZUKA,K.TANAKA,P.BASNET,H.DONG,T.NAMBA ,S.KADOTA |
| Literature Reference Citation | J.NAT.PROD.,61,212(1998) |
| Literature Reference DOI | 10.1021/np970404d |
| Molecular Weight | 879.016 g/mol |
| Solvent | MEOH-D6 |
| Source File Reference | UWKP112 |