(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one

C20H28O2 — CID 90850507

IUPAC(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
SMILESCC1(O)CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@@H]21
InChIInChI=1S/C20H28O2/c1-18-7-5-13-11-20(13,18)17-16(6-8-18)15-4-3-14(21)9-12(15)10-19(17,2)22/h9,13,15-17,22H,3-8,10-11H2,1-2H3/t13?,15-,16+,17-,18-,19?,20?/m0/s1
InChIKeyIMGAVMUQHLOFOG-PRLSUEEASA-N
MW300.44 g/mol
LogP3.88
Rot. Bonds

About (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one

(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one (PubChem CID 90850507) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one.

Molecular Properties

Compound Name(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
PubChem CID90850507
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
SMILESCC1(O)CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@@H]21
InChIInChI=1S/C20H28O2/c1-18-7-5-13-11-20(13,18)17-16(6-8-18)15-4-3-14(21)9-12(15)10-19(17,2)22/h9,13,15-17,22H,3-8,10-11H2,1-2H3/t13?,15-,16+,17-,18-,19?,20?/m0/s1
InChIKeyIMGAVMUQHLOFOG-PRLSUEEASA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one 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

(1R,7R,10R,11R)-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
CID 70147149
(1R,2S,7S,10R,11R)-6-hydroxy-6-(methoxymethyl)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one
CID 70148153
(4aR,4bS,7R,8aS)-7-(2-hydroxypropan-2-yl)-7-methyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 70389132
(4aR)-7-(2-hydroxypropan-2-yl)-7-methyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 70389135
(4aR,4bS,7S,8aS)-7-(2-hydroxypropan-2-yl)-7-methyl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 14650832
(8R,9S,10R,13R,14R,17R)-17-acetyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 125027643
(4aR,4bS,6aS,7S,10aS,10bR)-7-hydroxy-6a-methyl-3,4,4a,4b,5,6,7,8,10a,10b,11,12-dodecahydrochrysen-2-one
CID 11437646
13-methyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 162978922
(8R,9S,10S,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 11875292
(8R,9S,10R,13S,14R,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 7048586
(8R,9S,10R,13S,14S)-15-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70893591
(8R,9R,10R,13S)-7-ethenyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 70168593

Frequently Asked Questions

What is the IUPAC name of (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The IUPAC name of (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one (CID 90850507) is (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one.
What is the SMILES notation for (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The canonical SMILES for (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one is CC1(O)CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)CCC4CC43[C@@H]21.
What is the InChIKey of (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
The InChIKey is IMGAVMUQHLOFOG-PRLSUEEASA-N. The full InChI is InChI=1S/C20H28O2/c1-18-7-5-13-11-20(13,18)17-16(6-8-18)15-4-3-14(21)9-12(15)10-19(17,2)22/h9,13,15-17,22H,3-8,10-11H2,1-2H3/t13?,15-,16+,17-,18-,19?,20?/m0/s1.
What are the key properties of (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one?
(1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one has a molecular weight of 300.44 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,10R,11R)-18-hydroxy-7,18-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-14-one is sourced from PubChem (CID 90850507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).