3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol

C23H35NO3 — CID 166716148

IUPAC3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol
SMILESCCOC1=CC2=CCC3C(C2CC1)C(C)(O)CC1(CC)C3CCC1(C)N=O
InChIInChI=1S/C23H35NO3/c1-5-23-14-21(3,25)20-17-10-8-16(27-6-2)13-15(17)7-9-18(20)19(23)11-12-22(23,4)24-26/h7,13,17-20,25H,5-6,8-12,14H2,1-4H3
InChIKeyMZZCNSLZNWUALO-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.37
Rot. Bonds4

About 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol

3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol (PubChem CID 166716148) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol.

Molecular Properties

Compound Name3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol
PubChem CID166716148
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol
SMILESCCOC1=CC2=CCC3C(C2CC1)C(C)(O)CC1(CC)C3CCC1(C)N=O
InChIInChI=1S/C23H35NO3/c1-5-23-14-21(3,25)20-17-10-8-16(27-6-2)13-15(17)7-9-18(20)19(23)11-12-22(23,4)24-26/h7,13,17-20,25H,5-6,8-12,14H2,1-4H3
InChIKeyMZZCNSLZNWUALO-UHFFFAOYSA-N
XLogP5.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol with MolForge

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Related Compounds

[(8R,9S,10R,13R,14R,17R)-3-ethoxy-13,17-dimethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
CID 125124475
(13S)-3-ethoxy-13-ethyl-11-hydroxy-11-(trimethylsilylmethyl)-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one;(13R,17S)-3-ethoxy-11-ethyl-17-(2-trimethylsilylethynyl)-13-(trimethylsilylmethyl)-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthrene-11,17-diol
CID 157117747
(13S,17R)-3-ethoxy-13-ethyl-17-ethynyl-17-prop-1-en-2-yloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
CID 121231015
(1'R,5'S,8R,9S,13S,14S)-3-ethoxy-13-methylspiro[1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthrene-16,6'-bicyclo[3.1.0]hexane]-17-one
CID 10883074
(8R,13S)-13-ethyl-17-ethynyl-3-methoxy-16-methylidene-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ol
CID 118946178
(8R,13S,17R)-13-ethyl-17-ethynyl-3-methoxy-16-methylidene-1,2,7,8,9,10,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ol
CID 118982456
(1R,2R,3S,5S,6S,7S,10S,11R)-7-ethyl-14-methoxy-6-prop-2-enylpentacyclo[8.8.0.02,7.03,5.011,16]octadeca-14,16-dien-6-ol
CID 67546891
4-[(8R,9S,10R,13S,14S,17R)-3-ethoxy-13-ethyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoxy-trimethylsilane
CID 54248031
(8S,9S,10R,11S,13S)-3-ethoxy-11-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 70889173
(8S,9R,10R,13S,14S)-3-ethoxy-11-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 69264506
(8R,9S,10R,14S,17R)-13-ethyl-17-ethynyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 88844217
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-methoxy-2,7,8,9,10,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 88641931

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol?
The IUPAC name of 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol (CID 166716148) is 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol.
What is the SMILES notation for 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol?
The canonical SMILES for 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol is CCOC1=CC2=CCC3C(C2CC1)C(C)(O)CC1(CC)C3CCC1(C)N=O.
What is the InChIKey of 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol?
The InChIKey is MZZCNSLZNWUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-5-23-14-21(3,25)20-17-10-8-16(27-6-2)13-15(17)7-9-18(20)19(23)11-12-22(23,4)24-26/h7,13,17-20,25H,5-6,8-12,14H2,1-4H3.
What are the key properties of 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol?
3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol has a molecular weight of 373.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-13-ethyl-11,17-dimethyl-17-nitroso-1,2,7,8,9,10,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-ol is sourced from PubChem (CID 166716148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).