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(E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetoxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
SpectraBase Compound ID BD32wC4RW3m
InChI InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,27+,30-,31-,32-/m1/s1
InChIKey JVABUELIHJXLKP-JBOPJBCTSA-N
Mol Weight 510.7 g/mol
Molecular Formula C32H46O5
Exact Mass 510.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wK9huEPFuB
Name (E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetoxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H46O5
InChI InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,27+,30-,31-,32-/m1/s1
InChIKey JVABUELIHJXLKP-JBOPJBCTSA-N
Literature Reference Author L.J.LIN,M.S.SHIAO,K.R.LEE
Literature Reference Citation J.NAT.PROD.,52,595(1989)
Literature Reference DOI 10.1021/np50063a020
Molecular Weight 510.714 g/mol
Solvent CDCl3
Source File Reference UWTS364