| SpectraBase Compound ID | 72Qkn8sGYKs |
|---|---|
| InChI | InChI=1S/C38H51ClO16/c1-18(2)12-27(43)48-16-29(45)53-25-11-10-24(15-39)14-26-38(47,20(5)35(46)54-26)34(52-23(8)42)31-36(25,9)32(50-21(6)40)30(55-28(44)13-19(3)4)33(51-22(7)41)37(31)17-49-37/h10-11,14,18-20,25-26,30-34,47H,12-13,15-17H2,1-9H3/b11-10-,24-14+/t20-,25-,26-,30+,31+,32-,33+,34-,36+,37+,38-/m0/s1 |
| InChIKey | HKWUDKOTSNBACC-PYQQNSMBSA-N |
| Mol Weight | 799.3 g/mol |
| Molecular Formula | C38H51ClO16 |
| Exact Mass | 798.286563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YGsKWOjH5W |
|---|---|
| Name | GEMMACOLIDE-AM |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H51ClO16 |
| InChI | InChI=1S/C38H51ClO16/c1-18(2)12-27(43)48-16-29(45)53-25-11-10-24(15-39)14-26-38(47,20(5)35(46)54-26)34(52-23(8)42)31-36(25,9)32(50-21(6)40)30(55-28(44)13-19(3)4)33(51-22(7)41)37(31)17-49-37/h10-11,14,18-20,25-26,30-34,47H,12-13,15-17H2,1-9H3/b11-10-,24-14+/t20-,25-,26-,30+,31+,32-,33+,34-,36+,37+,38-/m0/s1 |
| InChIKey | HKWUDKOTSNBACC-PYQQNSMBSA-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 | 799.266 g/mol |
| Source File Reference | UWLU74844 |