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CHLOROGENIN=(25R)-5-ALPHA-SPIROSTAN-3-BETA,6-ALPHA-DIOL
SpectraBase Compound ID 5xvZ5Ek9CvS
InChI InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
InChIKey PZNPHSFXILSZTM-UNARIRTPSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 142VEkRd34O
Name CHLOROGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
InChIKey PZNPHSFXILSZTM-UNARIRTPSA-N
Literature Reference Author A.N.USUBILLAGA,G.MECCIA
Literature Reference Citation J.NAT.PROD.,50,636(1987)
Literature Reference DOI 10.1021/np50052a010
Molecular Weight 432.644 g/mol
Solvent CDCl3
Source File Reference UWED17454