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PINNASTERONE
SpectraBase Compound ID 1qlUxfqbrmI
InChI InChI=1S/C27H44O7/c1-23(2,32)22(31)8-10-26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-9-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22?,24+,25+,26?,27+/m0/s1
InChIKey VUBCOFCCIFBERZ-WLVVIQIMSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H44O7
Exact Mass 480.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUrnwJiq8gV
Name PINNASTERONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O7
InChI InChI=1S/C27H44O7/c1-23(2,32)22(31)8-10-26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-9-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22?,24+,25+,26?,27+/m0/s1
InChIKey VUBCOFCCIFBERZ-WLVVIQIMSA-N
Literature Reference Author A.SUKSAMRARN,C.SOMMECHAI,P.CHARULPONG,B.CHITKUL
Literature Reference Citation PHYTOCHEM.,38,473(1995)
Literature Reference DOI 10.1016/0031-9422(94)00712-3
Molecular Weight 480.642 g/mol
Solvent C5D5N
Source File Reference UWMS4808