(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]

C23H32O2 — CID 59617874

IUPAC(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]
SMILESCC[C@]12CCC3C(CC=C4C=C(OC)CC[C@@H]43)C1CC[C@@]21C=CCO1
InChIInChI=1S/C23H32O2/c1-3-22-12-9-19-18-8-6-17(24-2)15-16(18)5-7-20(19)21(22)10-13-23(22)11-4-14-25-23/h4-5,11,15,18-21H,3,6-10,12-14H2,1-2H3/t18-,19?,20?,21?,22-,23-/m0/s1
InChIKeyXTHPRIWNFZMAIK-GWWIDLRXSA-N
MW340.51 g/mol
LogP5.41
Rot. Bonds2

About (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]

(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] (PubChem CID 59617874) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan].

Molecular Properties

Compound Name(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]
PubChem CID59617874
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]
SMILESCC[C@]12CCC3C(CC=C4C=C(OC)CC[C@@H]43)C1CC[C@@]21C=CCO1
InChIInChI=1S/C23H32O2/c1-3-22-12-9-19-18-8-6-17(24-2)15-16(18)5-7-20(19)21(22)10-13-23(22)11-4-14-25-23/h4-5,11,15,18-21H,3,6-10,12-14H2,1-2H3/t18-,19?,20?,21?,22-,23-/m0/s1
InChIKeyXTHPRIWNFZMAIK-GWWIDLRXSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]?
The IUPAC name of (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] (CID 59617874) is (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan].
What is the SMILES notation for (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]?
The canonical SMILES for (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] is CC[C@]12CCC3C(CC=C4C=C(OC)CC[C@@H]43)C1CC[C@@]21C=CCO1.
What is the InChIKey of (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]?
The InChIKey is XTHPRIWNFZMAIK-GWWIDLRXSA-N. The full InChI is InChI=1S/C23H32O2/c1-3-22-12-9-19-18-8-6-17(24-2)15-16(18)5-7-20(19)21(22)10-13-23(22)11-4-14-25-23/h4-5,11,15,18-21H,3,6-10,12-14H2,1-2H3/t18-,19?,20?,21?,22-,23-/m0/s1.
What are the key properties of (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan]?
(10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] has a molecular weight of 340.51 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,13S,17R)-13-ethyl-3-methoxyspiro[2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-2H-furan] is sourced from PubChem (CID 59617874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).