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3,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, (24S)-

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3,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, (24S)-
SpectraBase Compound ID 9jnsOYHJAV3
InChI InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)
InChIKey ZKBGKWZSOPPDSD-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PHMS3RSQcg
Name 3,4-Secodammar-4(28)-en-3-oic acid, 20,24-epoxy-25-hydroxy-, (24S)-
CAS Registry Number 21671-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)
InChIKey ZKBGKWZSOPPDSD-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES OC(C1CCC(C2CCC3(C4(C(C(CCC(=O)O)(C)C(CC4)C(=C)C)CCC23)C)C)(C)O1)(C)C
SPLASH splash10-0006-9400000000-fb4486b0987b144acc7d
Source of Spectrum X2-50-712-16
Synonyms 3-(3-[5-(1-Hydroxy-1-methylethyl)-2-methyltetrahydro-2-furanyl]-7-isopropenyl-6,9a,9b-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid 3-[3-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrobenz[e]inden-6-yl]propionic acid 3-[3-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-7-isopropenyl-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid 3-[3-[5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-6,9a,9b-trimethyl-7-(1-methylethenyl)-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid 3-[3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid 3-[6,9a,9b-trimethyl-3-[2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid Shoreic acid
Wiley ID 1602375