6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol

C23H37NO4 — CID 123242026

IUPAC6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol
SMILESCON=C1C=C2C(CCC3(C)C(C(C)C)CCC23O)C2(C)CC(O)C(O)CC12
InChIInChI=1S/C23H37NO4/c1-13(2)14-7-9-23(27)16-10-18(24-28-5)17-11-19(25)20(26)12-21(17,3)15(16)6-8-22(14,23)4/h10,13-15,17,19-20,25-27H,6-9,11-12H2,1-5H3
InChIKeyNPEAINSETODLSF-UHFFFAOYSA-N
MW391.55 g/mol
LogP3.28
Rot. Bonds2

About 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol

6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol (PubChem CID 123242026) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol.

Molecular Properties

Compound Name6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol
PubChem CID123242026
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Name6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol
SMILESCON=C1C=C2C(CCC3(C)C(C(C)C)CCC23O)C2(C)CC(O)C(O)CC12
InChIInChI=1S/C23H37NO4/c1-13(2)14-7-9-23(27)16-10-18(24-28-5)17-11-19(25)20(26)12-21(17,3)15(16)6-8-22(14,23)4/h10,13-15,17,19-20,25-27H,6-9,11-12H2,1-5H3
InChIKeyNPEAINSETODLSF-UHFFFAOYSA-N
XLogP3.28
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol?
The IUPAC name of 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol (CID 123242026) is 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol.
What is the SMILES notation for 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol?
The canonical SMILES for 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol is CON=C1C=C2C(CCC3(C)C(C(C)C)CCC23O)C2(C)CC(O)C(O)CC12.
What is the InChIKey of 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol?
The InChIKey is NPEAINSETODLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-13(2)14-7-9-23(27)16-10-18(24-28-5)17-11-19(25)20(26)12-21(17,3)15(16)6-8-22(14,23)4/h10,13-15,17,19-20,25-27H,6-9,11-12H2,1-5H3.
What are the key properties of 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol?
6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol has a molecular weight of 391.55 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyimino-10,13-dimethyl-17-propan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,14-triol is sourced from PubChem (CID 123242026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).