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3-((3S,4S,5R,8R,9R,10R,13R,14S,15R)-15-(2-hydroxypropan-2-yl)-4,9,10,13-tetramethyl-3-(prop-1-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-((3S,4S,5R,8R,9R,10R,13R,14S,15R)-15-(2-hydroxypropan-2-yl)-4,9,10,13-tetramethyl-3-(prop-1-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl)propanoic acid
SpectraBase Compound ID 6FfyVpooK2W
InChI InChI=1S/C30H50O3/c1-19(2)20-12-16-30(8)23(28(20,6)15-13-24(31)32)10-9-22-25-21(26(3,4)33)11-14-27(25,5)17-18-29(22,30)7/h20-23,25,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22+,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey OJFLQTYBOGSXCL-FBJARBBYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKS9JR1FuIe
Name 3-((3S,4S,5R,8R,9R,10R,13R,14S,15R)-15-(2-hydroxypropan-2-yl)-4,9,10,13-tetramethyl-3-(prop-1-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-4-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-19(2)20-12-16-30(8)23(28(20,6)15-13-24(31)32)10-9-22-25-21(26(3,4)33)11-14-27(25,5)17-18-29(22,30)7/h20-23,25,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22+,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey OJFLQTYBOGSXCL-FBJARBBYSA-N
Molecular Weight 458.727 g/mol
SMILES OC([C@]1([C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]([C@@]2(CCC(O)=O)C)(C(=C)C)[H])C)[H])[H])C)(CC1)C)[H])[H])(C)C
SPLASH splash10-0a4i-5933100000-c73d4c2ea78b3acc2ddd
Source of Spectrum Xiu-Feng He, et al. Bioorganic & Medicinal Chemistry Letters, V.21, 2011, P.125-129
Wiley ID 1816798