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CERTONARDOSTEROL_D3;(24R)-24-ETHYL-5-ALPHA-CHOLESTANE-3-BETA,6-ALPHA,15-BETA,24(2)-TETROL
SpectraBase Compound ID 6kcuwLoiCR4
InChI InChI=1S/C29H52O4/c1-17(2)19(10-13-30)7-6-18(3)23-16-26(33)27-21-15-25(32)24-14-20(31)8-11-28(24,4)22(21)9-12-29(23,27)5/h17-27,30-33H,6-16H2,1-5H3/t18-,19+,20+,21-,22?,23-,24-,25+,26-,27?,28-,29-/m1/s1
InChIKey BKDLTBPGTMXGMR-RBYAKKMBSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3ITUfAgDvR
Name CERTONARDOSTEROL_D3;(24R)-24-ETHYL-5-ALPHA-CHOLESTANE-3-BETA,6-ALPHA,15-BETA,24(2)-TETROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-17(2)19(10-13-30)7-6-18(3)23-16-26(33)27-21-15-25(32)24-14-20(31)8-11-28(24,4)22(21)9-12-29(23,27)5/h17-27,30-33H,6-16H2,1-5H3/t18-,19+,20+,21-,22?,23-,24-,25+,26-,27?,28-,29-/m1/s1
InChIKey BKDLTBPGTMXGMR-RBYAKKMBSA-N
Literature Reference Author W.WANG,J.HONG,C.O.LEE,K.S.IM,J.S.CHOI,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,67,584(2004)
Literature Reference DOI 10.1021/np030427u
Molecular Weight 464.729 g/mol
Solvent CD3OD
Source File Reference UWMZ5675