(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol

C20H32O — CID 101049010

IUPAC(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol
SMILESCC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1
InChIInChI=1S/C20H32O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h7,11,13,16-18,21H,6,8-10,12H2,1-5H3/t16-,17+,18-,20+/m1/s1
InChIKeyKEEIUTNHRCGXOP-RMJJICAUSA-N
MW288.48 g/mol
LogP5.11
Rot. Bonds1

About (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol

(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol (PubChem CID 101049010) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol.

Molecular Properties

Compound Name(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol
PubChem CID101049010
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol
SMILESCC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1
InChIInChI=1S/C20H32O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h7,11,13,16-18,21H,6,8-10,12H2,1-5H3/t16-,17+,18-,20+/m1/s1
InChIKeyKEEIUTNHRCGXOP-RMJJICAUSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,4bR)-8-deuterio-7-[(2S)-1-deuteriopropan-2-yl]-1,1,4a-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
CID 10989467
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methanamine
CID 67777006
sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 23678979
(1R,4aR,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 118395392
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 25099
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;barium(2+)
CID 21118173
(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;manganese
CID 11394172
(1R,4aR,4bR,10aR)-1-(iodomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
CID 102381702
methyl (1S,4aS,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 26079670
[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 7478989
(1R,4aR,4bR)-1-ethyl-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 67303501
[(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 23911344

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol?
The IUPAC name of (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol (CID 101049010) is (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol.
What is the SMILES notation for (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol?
The canonical SMILES for (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol is CC(C)C1=CC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2[C@H](O)C1.
What is the InChIKey of (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol?
The InChIKey is KEEIUTNHRCGXOP-RMJJICAUSA-N. The full InChI is InChI=1S/C20H32O/c1-13(2)15-11-14-7-8-17-19(3,4)9-6-10-20(17,5)18(14)16(21)12-15/h7,11,13,16-18,21H,6,8-10,12H2,1-5H3/t16-,17+,18-,20+/m1/s1.
What are the key properties of (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol?
(4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol has a molecular weight of 288.48 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-4-ol is sourced from PubChem (CID 101049010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).