4,7-Azulenediol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aS-[3a.alpha.,4.alpha.,5.alpha.(S*),7.alpha.,8a.beta.]]-

SpectraBase Compound ID	Ij5jYgq2H9b
InChI	InChI=1S/C22H34O3/c1-13(2)8-7-9-14(3)19-12-20(25-17(6)23)16(5)18-11-10-15(4)21(18)22(19)24/h8,10,14,18-22,24H,5,7,9,11-12H2,1-4,6H3/t14?,18-,19-,20-,21+,22+/m0/s1
InChIKey	XZMBPLCSFKVXDK-LEIRCQKFSA-N Google Search
Mol Weight	346.5 g/mol
Molecular Formula	C22H34O3
Exact Mass	346.250795 g/mol

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SpectraBase Spectrum ID	GJgxMLyiphs
Name	4,7-Azulenediol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aS-[3a.alpha.,4.alpha.,5.alpha.(S*),7.alpha.,8a.beta.]]-
CAS Registry Number	63908-64-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H34O3
InChI	InChI=1S/C22H34O3/c1-13(2)8-7-9-14(3)19-12-20(25-17(6)23)16(5)18-11-10-15(4)21(18)22(19)24/h8,10,14,18-22,24H,5,7,9,11-12H2,1-4,6H3/t14?,18-,19-,20-,21+,22+/m0/s1
InChIKey	XZMBPLCSFKVXDK-LEIRCQKFSA-N
Molecular Weight	346.511 g/mol
SMILES	O[C@]1([C@]2([C@](C([C@](C[C@]1(C(CCC=C(C)C)C)[H])(OC(=O)C)[H])=C)(CC=C2C)[H])[H])[H]
SPLASH	splash10-0a4r-0961000000-4c90b283d467770c7563
Source of Spectrum	W5-30667-0-0
Synonyms	(3aR,5S,7S,8R,8aS)-7-(1,5-dimethyl-4-hexenyl)-8-hydroxy-1-methyl-4-methylene-3,3a,4,5,6,7,8,8a-octahydro-5-azulenyl acetate 4,7-Azulenediol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, @[email protected].,4.alpha.,5.alpha.(s@), 4,7-Azulenediol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aS-[3a.alpha.,4.alpha.,5.alpha.(S*), 4,7-Azulenediol, 5-(1,5-dimethyl-4-hexenyl)-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, 7-acetate, [3aS-[3a.alpha.,4.alpha.,5.alpha.(s@),7.alpha.,8a.beta.]]-
Wiley ID	1339606