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NEOBOTOGENIN=(25S)-SPIROST-5-EN-3-BETA-OL-12-ON
SpectraBase Compound ID LiJyTXf3NXd
InChI InChI=1S/C27H40O4/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/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1
InChIKey UVLDESQWQRMYKD-FOWCCNIQSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vucLdhlLC0
Name NEOBOTOGENIN=(25S)-SPIROST-5-EN-3-BETA-OL-12-ON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/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/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1
InChIKey UVLDESQWQRMYKD-FOWCCNIQSA-N
Literature Reference Author P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR
Literature Reference Citation PHYTOCHEM.,24,2479(1985)
Literature Reference DOI 10.1016/S0031-9422(00)80653-6
Molecular Weight 428.612 g/mol
Solvent CDCl3
Source File Reference UNIW17128