(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

C19H25NO3 — CID 15160293

IUPAC(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CCC(=O)C=C1/C(=N/O)CC1C2CC[C@]2(C)C(=O)CCC12
InChIInChI=1S/C19H25NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,23H,3-8,10H2,1-2H3/b20-16+/t12?,13?,14?,18-,19+/m1/s1
InChIKeyALPVAQARJWKHPM-WIOLPFNZSA-N
MW315.41 g/mol
LogP3.53
Rot. Bonds

About (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 15160293) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID15160293
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CCC(=O)C=C1/C(=N/O)CC1C2CC[C@]2(C)C(=O)CCC12
InChIInChI=1S/C19H25NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,23H,3-8,10H2,1-2H3/b20-16+/t12?,13?,14?,18-,19+/m1/s1
InChIKeyALPVAQARJWKHPM-WIOLPFNZSA-N
XLogP3.53
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione (CID 15160293) is (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione is C[C@]12CCC(=O)C=C1/C(=N/O)CC1C2CC[C@]2(C)C(=O)CCC12.
What is the InChIKey of (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is ALPVAQARJWKHPM-WIOLPFNZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,23H,3-8,10H2,1-2H3/b20-16+/t12?,13?,14?,18-,19+/m1/s1.
What are the key properties of (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione?
(6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 315.41 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R,13S)-6-hydroxyimino-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 15160293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).