Name: Name:(1R,4aR,4bS)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Brand: Angene
SKU: AG0031RM
Rating: 90 (10 reviews)

(1R,4aR,4bS)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate

CAS No.:

30968-45-7

Catalog Number:

AG0031RM

Molecular Formula:

C21H36O2

Molecular Weight:

320.5093

Catalog Number:

AG0031RM

Chemical Name:

(1R,4aR,4bS)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate

CAS Number:

30968-45-7

Molecular Formula:

C21H36O2

Molecular Weight:

320.5093

MDL Number:

MFCD00466887

IUPAC Name:

methyl (1R,4aR,4bS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthrene-1-carboxylate

InChI:

InChI=1S/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,14-15,17-18H,6-7,9-13H2,1-5H3/t15?,17-,18?,20+,21+/m0/s1

InChI Key:

YUBSLXLMZVQYAG-OXYNRLPTSA-N

SMILES:

COC(=O)C1(C)CCCC2(C1CCC1C2CCC(C1)C(C)C)C

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.256g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.501g/mol

Monoisotopic Mass:

318.256g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8