Methyl (E,E)- ent-8-[(14.alpha. H)-isocopal-12-en-15-yl]-3,7-dimethyl-2,6-octadienoate

SpectraBase Compound ID	K3KQikBBGjI
InChI	InChI=1S/C31H50O2/c1-22(11-9-12-23(2)21-28(32)33-8)13-15-25-24(3)14-16-27-30(25,6)20-17-26-29(4,5)18-10-19-31(26,27)7/h11,14,21,25-27H,9-10,12-13,15-20H2,1-8H3/b22-11+,23-21+/t25-,26+,27+,30+,31+/m0/s1
InChIKey	XPTWRZCAXFDQGL-MXOCAVMCSA-N Google Search
Mol Weight	454.7 g/mol
Molecular Formula	C31H50O2
Exact Mass	454.381081 g/mol

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SpectraBase Spectrum ID	DZCvBfDRxHO
Name	Methyl (E,E)- ent-8-[(14.alpha. H)-isocopal-12-en-15-yl]-3,7-dimethyl-2,6-octadienoate
CAS Registry Number	121753-89-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H50O2
InChI	InChI=1S/C31H50O2/c1-22(11-9-12-23(2)21-28(32)33-8)13-15-25-24(3)14-16-27-30(25,6)20-17-26-29(4,5)18-10-19-31(26,27)7/h11,14,21,25-27H,9-10,12-13,15-20H2,1-8H3/b22-11+,23-21+/t25-,26+,27+,30+,31+/m0/s1
InChIKey	XPTWRZCAXFDQGL-MXOCAVMCSA-N
Molecular Weight	454.739 g/mol
SMILES	[C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CC\C(=C\CC\C(=C\C(=O)OC)C)C)[H])C)[H])C
SPLASH	splash10-03ds-0390200000-2620278129026d0c75b2
Source of Spectrum	F-44-2520-35
Synonyms	Methyl (2E,6E)-9-[(5beta,8alpha,9beta,10alpha,14alpha)-8,13-dimethylpodocarp-12-en-14-yl]-3,7-dimethyl-2,6-nonadienoate Methyl (E,E)-ent-8 -[(14.alpha. H)-12-isocopalen-15-yl)-3,7-dimethyl-2,6-octadienoate
Wiley ID	1388946