Home Carboxys (1R,4aR,4bR,10aR)-Ethyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate

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

CAS No.:
631-71-0
Catalog Number:
AG003NLZ
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
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Product Description
Catalog Number:
AG003NLZ
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
CAS Number:
631-71-0
Molecular Formula:
C22H34O2
Molecular Weight:
330.5042
MDL Number:
MFCD00028860
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
SMILES:
CCOC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C
EC Number:
211-166-0
UNII:
46YCT42ESP
Properties
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  
Properties