(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol

C23H32O3 — CID 14988801

IUPAC(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
SMILESC=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C
InChIInChI=1S/C23H32O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h3,6,19-20,24H,1,4-5,7-15H2,2H3/t19-,20+,21+,22+/m1/s1
InChIKeyVBDDGDLFYDUSPM-MLNNCEHLSA-N
MW356.51 g/mol
LogP4.67
Rot. Bonds2

About (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol

(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol (PubChem CID 14988801) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol.

Molecular Properties

Compound Name(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
PubChem CID14988801
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
SMILESC=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C
InChIInChI=1S/C23H32O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h3,6,19-20,24H,1,4-5,7-15H2,2H3/t19-,20+,21+,22+/m1/s1
InChIKeyVBDDGDLFYDUSPM-MLNNCEHLSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol?
The IUPAC name of (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol (CID 14988801) is (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol.
What is the SMILES notation for (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol?
The canonical SMILES for (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol is C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C.
What is the InChIKey of (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol?
The InChIKey is VBDDGDLFYDUSPM-MLNNCEHLSA-N. The full InChI is InChI=1S/C23H32O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h3,6,19-20,24H,1,4-5,7-15H2,2H3/t19-,20+,21+,22+/m1/s1.
What are the key properties of (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol?
(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol has a molecular weight of 356.51 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol is sourced from PubChem (CID 14988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).