(5Z,7E)-(3S,20S)-3-hydroxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester

SpectraBase Compound ID	KSzcwLyTKjM
InChI	InChI=1S/C23H34O3/c1-15-7-10-19(24)14-18(15)9-8-17-6-5-13-23(3)20(11-12-21(17)23)16(2)22(25)26-4/h8-9,16,19-21,24H,1,5-7,10-14H2,2-4H3/b17-8+,18-9-/t16-,19-,20+,21-,23+/m0/s1
InChIKey	INTZKPKWBMODTK-LIROAIKCSA-N Google Search
Mol Weight	358.5 g/mol
Molecular Formula	C23H34O3
Exact Mass	358.250795 g/mol

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SpectraBase Spectrum ID	DJjBd1rBe3H
Name	(5Z,7E)-(3S,20S)-3-hydroxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester
Alternate Name(s)	Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propanoate (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoic acid methyl ester Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate Methyl (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate
CAS Registry Number	97903-24-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H34O3
InChI	InChI=1S/C23H34O3/c1-15-7-10-19(24)14-18(15)9-8-17-6-5-13-23(3)20(11-12-21(17)23)16(2)22(25)26-4/h8-9,16,19-21,24H,1,5-7,10-14H2,2-4H3/b17-8+,18-9-/t16-,19-,20+,21-,23+/m0/s1
InChIKey	INTZKPKWBMODTK-LIROAIKCSA-N
Molecular Weight	358.522 g/mol
SMILES	O[C@@]1(C\C(=C\C=C\2[C@]3([C@@]([C@@]([C@@](C(=O)OC)(C)[H])(CC3)[H])(CCC2)C)[H])C(CC1)=C)[H]
SPLASH	splash10-0699-0937000000-a3d9d24d01bac68b2c46
Source of Spectrum	J-53-3454-11
Wiley ID	1347411