AG003NLZ

631-71-0 | (1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate

AG003NLZ

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CAS Number	631-71-0
Catalog Number	AG003NLZ(AGN-PC-0T7ATV)
Chemical Name	(1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
EC Number	211-166-0
IUPAC Name	ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
InChI	InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
InChI Key	AGUBCDYYAKENKG-YVNJGZBMSA-N
MDL Number	MFCD00028860
Molecular Formula	C22H34O2
Molecular Weight	330.5042
SMILES	O=C([C@]1(C)CCC[C@]2(C)[C@@]3([H])CCC(C(C)C)=CC3=CC[C@@]12[H])OCC
UNII	46YCT42ESP
Synonyms	ETHYL ABIETATE, 631-71-0, Abietic acid, ethyl ester, UNII-46YCT42ESP, 46YCT42ESP, Abietic Acid Ethyl Ester, (1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate, Ethyl 13-isopropylpodocarpa-7,13-dien-15-oate, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, ethyl ester, ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate, Ethyl abietate, technical, EthylAbietate, EINECS 211-166-0, AI3-01841, AC1L1UPC, SCHEMBL2418156, CHEMBL3358315, CTK8B3293, DTXSID50212434, ZINC5650642, ANW-42218, KS-000012R9, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-, Ethyl 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate, (1R-(1alpha,4abeta,4balpha,10aalpha))-, TL8004389, TR-021755, A834250, (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid ethyl ester, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4a beta,4b alpha,10a alpha))-, ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate, C22H34O2, CID61182, C22-H34-O2, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R,4aR,4bR,10aR)-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-,

Complexity	571
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	330.256g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.512g/mol
Monoisotopic Mass	330.256g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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