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HECOGENIN;(25R)-3-BETA-HYDROXY-5-ALPHA-SPIROSTAN-12-ONE
SpectraBase Compound ID 9sCcguQ8Kh1
InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1
InChIKey QOLRLLFJMZLYQJ-VPHKEBNASA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rO4INm0AF
Name HECOGENIN
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1
InChIKey QOLRLLFJMZLYQJ-VPHKEBNASA-N
Literature Reference Author L.B.ZHOU,T.H.CHEN,K.F.BASTOW,M.SHIBANO,K.H.LEE,D.F.CHEN
Literature Reference Citation J.NAT.PROD.,70,1263(2007)
Literature Reference DOI 10.1021/np070138w
Molecular Weight 430.628 g/mol
Sample ID 31375
Solvent C5D5N