(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

C19H29NO2 — CID 66707923

IUPAC(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SMILESC[C@]12CCC(O)=CC1CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)=CC[C@@H]12
InChIInChI=1S/C19H29NO2/c1-18-7-5-12(21)9-11(18)10-15(22)17-13-3-4-16(20)19(13,2)8-6-14(17)18/h4,9,11,13-15,17,21-22H,3,5-8,10,20H2,1-2H3/t11?,13-,14+,15?,17-,18-,19-/m0/s1
InChIKeyDBLYZQGPEOEUBC-WGDAFDNRSA-N
MW303.45 g/mol
LogP3.50
Rot. Bonds

About (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (PubChem CID 66707923) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol.

Molecular Properties

Compound Name(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
PubChem CID66707923
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SMILESC[C@]12CCC(O)=CC1CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)=CC[C@@H]12
InChIInChI=1S/C19H29NO2/c1-18-7-5-12(21)9-11(18)10-15(22)17-13-3-4-16(20)19(13,2)8-6-14(17)18/h4,9,11,13-15,17,21-22H,3,5-8,10,20H2,1-2H3/t11?,13-,14+,15?,17-,18-,19-/m0/s1
InChIKeyDBLYZQGPEOEUBC-WGDAFDNRSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol 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

(8R,9R,10R,13S,14S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
CID 66708183
(5R,7S,8R,9S,10S,13S,14S)-3-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
CID 66708019
(7S,8R,9S,10R,13S,14S,17S)-7-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 66708372
(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-4,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthrene-3,7-diol
CID 66708912
(8R,9R,10S,13S,14S)-3-amino-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-7,17-diol
CID 66708355
(3R,5S,7S,8R,9S,10R,13S,14S)-3-amino-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-3H-cyclopenta[a]phenanthrene-7,17-diol
CID 66708901
(3S,5S,6R,7R,9S,10R,13S,14S)-10,13-dimethyl-17-phenyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triol
CID 118696638
(8R,9R,10S,13S,14S)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 69000049
(3S,7S,8R,9S,10R,13S,14S)-3-amino-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthrene-7,17-diol
CID 68999156
(8R,9S,10S,13S,14S)-3,3,7-trihydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 57493600
(8R,9S,10R,13S,14S)-3-amino-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-5H-cyclopenta[a]phenanthren-17-ol
CID 66708501
(3R,5S,10S,13S)-17-indol-1-yl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 70958146

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol?
The IUPAC name of (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (CID 66707923) is (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol.
What is the SMILES notation for (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol?
The canonical SMILES for (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol is C[C@]12CCC(O)=CC1CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)=CC[C@@H]12.
What is the InChIKey of (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol?
The InChIKey is DBLYZQGPEOEUBC-WGDAFDNRSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18-7-5-12(21)9-11(18)10-15(22)17-13-3-4-16(20)19(13,2)8-6-14(17)18/h4,9,11,13-15,17,21-22H,3,5-8,10,20H2,1-2H3/t11?,13-,14+,15?,17-,18-,19-/m0/s1.
What are the key properties of (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol?
(8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol has a molecular weight of 303.45 g/mol, XLogP of 3.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14S)-17-amino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol is sourced from PubChem (CID 66707923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).