| SpectraBase Compound ID | 7dgIYoQSCkM |
|---|---|
| InChI | InChI=1S/C43H60O18/c1-21(2)14-31(47)53-18-28-12-13-29(59-34(50)19-54-32(48)15-22(3)4)41(11)36(39(58-27(10)46)43(52)24(7)40(51)60-30(43)17-28)42(20-55-42)38(61-33(49)16-23(5)6)35(56-25(8)44)37(41)57-26(9)45/h12-13,17,21-24,29-30,35-39,52H,14-16,18-20H2,1-11H3/b13-12-,28-17+/t24-,29-,30-,35+,36+,37-,38+,39-,41+,42+,43-/m0/s1 |
| InChIKey | YOICWRQFHIURRG-OJTJQWIESA-N |
| Mol Weight | 864.9 g/mol |
| Molecular Formula | C43H60O18 |
| Exact Mass | 864.377965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uI4KUkpcp7 |
|---|---|
| Name | GEMMACOLIDE-AH |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H60O18 |
| InChI | InChI=1S/C43H60O18/c1-21(2)14-31(47)53-18-28-12-13-29(59-34(50)19-54-32(48)15-22(3)4)41(11)36(39(58-27(10)46)43(52)24(7)40(51)60-30(43)17-28)42(20-55-42)38(61-33(49)16-23(5)6)35(56-25(8)44)37(41)57-26(9)45/h12-13,17,21-24,29-30,35-39,52H,14-16,18-20H2,1-11H3/b13-12-,28-17+/t24-,29-,30-,35+,36+,37-,38+,39-,41+,42+,43-/m0/s1 |
| InChIKey | YOICWRQFHIURRG-OJTJQWIESA-N |
| Literature Reference Author | C.LI,M.JIANG,M.P.LA,T.J.LI,H.TANG,P.SUN,B.S.LIU,Y.H.YI,Z.LIU ,W.ZHANG |
| Literature Reference Citation | MAR.DRUGS,11,1565(2013) |
| Literature Reference DOI | 10.3390/md11051565 |
| Molecular Weight | 864.939 g/mol |
| Source File Reference | UWLU74839 |