alpha-[4-exo-(3-cyclohexyl-3S-hydroxy-trans-propenyl)-5-endo-hydroxy-(Z)-3alpha,6aalpha-2-pentalenylidene]-m-toluic acid

SpectraBase Compound ID	AcYIPQAsCsX
InChI	InChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11-/t20-,21?,22-,23+,24+/m0/s1
InChIKey	OINUMRGCICIETD-XXRNHWEGSA-N Google Search
Mol Weight	396.5 g/mol
Molecular Formula	C25H32O4
Exact Mass	396.23006 g/mol

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SpectraBase Spectrum ID	63ThhsARYwE
Name	alpha-[4-exo-(3-CYCLOHEXYL-3S-HYDROXY-trans-PROPENYL)-5-endo-HYDROXY-(Z)-3alpha,6aalpha-2-PENTALENYLIDENE]-m-TOLUIC ACID
Source of Sample	E. Frankus and S. M. A. Kim, Gruenenthal GmbH, Stolberg, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H32O4
InChI	InChI=1S/C25H32O4/c26-23(18-6-2-1-3-7-18)10-9-21-22-14-17(13-20(22)15-24(21)27)11-16-5-4-8-19(12-16)25(28)29/h4-5,8-12,18,20-24,26-27H,1-3,6-7,13-15H2,(H,28,29)/b10-9+,17-11-/t20-,21?,22-,23+,24+/m0/s1
InChIKey	OINUMRGCICIETD-XXRNHWEGSA-N
Literature Reference	ARZNEIM.-FORSCH. (DRUG RES.) 33, 1240(1983) Abstract-Chemical Abstracts= 100, 191613(1984)
Molecular Weight	396.527008
Synonyms	M-TOLUIC ACID, A-/4-EXO-/3-CYCLO- HEXYL-3S-HYDROXY-TRANS-PROPENYL/- 5-ENDO-HYDROXY-/Z/-3A,6AA-2-PENTALENYL- IDENE/-,
Technique	KBr WAFER