| SpectraBase Compound ID | 84ekyyB0Agf |
|---|---|
| InChI | InChI=1S/C50H70O5/c1-31(2)13-11-15-35(7)49(23-21-47(9)27-39-33(5)25-41(53)45(39)37(29-51)17-19-43(47)49)55-50(36(8)16-12-14-32(3)4)24-22-48(10)28-40-34(6)26-42(54)46(40)38(30-52)18-20-44(48)50/h13-14,17-18,25-26,29-30,35-36,39-40,43-46H,11-12,15-16,19-24,27-28H2,1-10H3/b37-17-,38-18-/t35-,36-,39-,40+,43-,44+,45+,46-,47-,48+,49+,50-/m1/s1 |
| InChIKey | GASPABWMCIDBPK-JEFYPPNNSA-N |
| Mol Weight | 751.1 g/mol |
| Molecular Formula | C50H70O5 |
| Exact Mass | 750.522325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | j3rFSoWLti |
|---|---|
| Name | DI-6-EPI-3-ANHYDROOPHIOBOLIN-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H70O5 |
| InChI | InChI=1S/C50H70O5/c1-31(2)13-11-15-35(7)49(23-21-47(9)27-39-33(5)25-41(53)45(39)37(29-51)17-19-43(47)49)55-50(36(8)16-12-14-32(3)4)24-22-48(10)28-40-34(6)26-42(54)46(40)38(30-52)18-20-44(48)50/h13-14,17-18,25-26,29-30,35-36,39-40,43-46H,11-12,15-16,19-24,27-28H2,1-10H3/b37-17-,38-18-/t35-,36-,39-,40+,43-,44+,45+,46-,47-,48+,49+,50-/m1/s1 |
| InChIKey | GASPABWMCIDBPK-JEFYPPNNSA-N |
| Literature Reference Author | X.SHEN,S.B.KRASNOFF,S.W.LU,C.D.DUNBAR,J.ONEAL,B.G.TURGEON,O. C.YODER,D.M.GIBSON,M |
| Literature Reference Citation | J.NAT.PROD.,62,895(1999) |
| Literature Reference DOI | 10.1021/np980462e |
| Molecular Weight | 751.103 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | WANG150 |