(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol

C22H36O3 — CID 2825514

IUPAC(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
SMILESCC12CCC3(C[C@@H]1CCC1C2CCC2(C)C1CC[C@]2(C)O)OCCO3
InChIInChI=1S/C22H36O3/c1-19-10-11-22(24-12-13-25-22)14-15(19)4-5-16-17(19)6-8-20(2)18(16)7-9-21(20,3)23/h15-18,23H,4-14H2,1-3H3/t15-,16?,17?,18?,19?,20?,21-/m0/s1
InChIKeyOCPDFDRDDCQKEV-LWZPZBHMSA-N
MW348.53 g/mol
LogP4.52
Rot. Bonds

About (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol

(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol (PubChem CID 2825514) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol.

Molecular Properties

Compound Name(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
PubChem CID2825514
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
SMILESCC12CCC3(C[C@@H]1CCC1C2CCC2(C)C1CC[C@]2(C)O)OCCO3
InChIInChI=1S/C22H36O3/c1-19-10-11-22(24-12-13-25-22)14-15(19)4-5-16-17(19)6-8-20(2)18(16)7-9-21(20,3)23/h15-18,23H,4-14H2,1-3H3/t15-,16?,17?,18?,19?,20?,21-/m0/s1
InChIKeyOCPDFDRDDCQKEV-LWZPZBHMSA-N
XLogP4.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol?
The IUPAC name of (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol (CID 2825514) is (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol.
What is the SMILES notation for (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol?
The canonical SMILES for (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol is CC12CCC3(C[C@@H]1CCC1C2CCC2(C)C1CC[C@]2(C)O)OCCO3.
What is the InChIKey of (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol?
The InChIKey is OCPDFDRDDCQKEV-LWZPZBHMSA-N. The full InChI is InChI=1S/C22H36O3/c1-19-10-11-22(24-12-13-25-22)14-15(19)4-5-16-17(19)6-8-20(2)18(16)7-9-21(20,3)23/h15-18,23H,4-14H2,1-3H3/t15-,16?,17?,18?,19?,20?,21-/m0/s1.
What are the key properties of (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol?
(5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol has a molecular weight of 348.53 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5'S,17'S)-10',13',17'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol is sourced from PubChem (CID 2825514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).