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CHOLEST-8-ENE-3-BETA,5-ALPHA,6-ALPHA,7-ALPHA,10-ALPHA-PENTOL-3,6,7-TRIACETATE
SpectraBase Compound ID H1Hdl7WmyHV
InChI InChI=1S/C33H52O8/c1-18(2)10-9-11-19(3)24-12-13-25-27-28(26(37)17-31(24,25)7)32(8)15-14-23(39-20(4)34)16-33(32,38)30(41-22(6)36)29(27)40-21(5)35/h18-19,23-26,29-30,37-38H,9-17H2,1-8H3/t19?,23-,24+,25-,26+,29-,30-,31+,32+,33-/m0/s1
InChIKey ICLBGXNCCPNRNO-HWQHSDFGSA-N
Mol Weight 576.8 g/mol
Molecular Formula C33H52O8
Exact Mass 576.366219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fmu9CJxEEp
Name CHOLEST-8-ENE-3-BETA,5-ALPHA,6-ALPHA,7-ALPHA,10-ALPHA-PENTOL-3,6,7-TRIACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O8
InChI InChI=1S/C33H52O8/c1-18(2)10-9-11-19(3)24-12-13-25-27-28(26(37)17-31(24,25)7)32(8)15-14-23(39-20(4)34)16-33(32,38)30(41-22(6)36)29(27)40-21(5)35/h18-19,23-26,29-30,37-38H,9-17H2,1-8H3/t19?,23-,24+,25-,26+,29-,30-,31+,32+,33-/m0/s1
InChIKey ICLBGXNCCPNRNO-HWQHSDFGSA-N
Literature Reference Author P.D.A.LEONE,J.REDBURN,J.N.A.HOOPER,R.J.QUINN
Literature Reference Citation J.NAT.PROD.,63,694(2000)
Literature Reference DOI 10.1021/np9904657
Molecular Weight 576.771 g/mol
Solvent CDCl3
Source File Reference UWCP8818