(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one

C25H36O6 — CID 124899139

IUPAC(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one
SMILESCC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1
InChIInChI=1S/C25H36O6/c1-22-7-8-24(29-11-12-30-24)13-15(22)3-4-16-17-5-6-19(23(2)27-9-10-28-23)25(17)14-18(20(16)22)31-21(25)26/h15-20H,3-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22+,25+/m1/s1
InChIKeySPCOYRJFXKKGPF-FPEPEGINSA-N
MW432.56 g/mol
LogP3.67
Rot. Bonds1

About (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one

(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one (PubChem CID 124899139) has the molecular formula C25H36O6 and a molecular weight of 432.56 g/mol. Its IUPAC name is (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one.

Molecular Properties

Compound Name(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one
PubChem CID124899139
Molecular FormulaC25H36O6
Molecular Weight432.56 g/mol
Exact Mass432.25
IUPAC Name(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one
SMILESCC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1
InChIInChI=1S/C25H36O6/c1-22-7-8-24(29-11-12-30-24)13-15(22)3-4-16-17-5-6-19(23(2)27-9-10-28-23)25(17)14-18(20(16)22)31-21(25)26/h15-20H,3-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22+,25+/m1/s1
InChIKeySPCOYRJFXKKGPF-FPEPEGINSA-N
XLogP3.67
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,8R,9R,10S,11S,13R,14R,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-ol
CID 124900484
(5R,8S,9S,10S,11S,13S,14R,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-ol
CID 124898302
(5'S,8'S,9'S,10'S,13'S,14'R,17'S)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-one
CID 11874449
(5'S,8'R,9'S,10'S,13'S,14'R,17'S)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-one
CID 11874451
(5'R,8'S,9'S,10'S,13'S,14'R,17'R)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-one
CID 124898977
(5S,8R,9S,10S,11R,13S,14R,17R)-13-(hydroxymethyl)-10-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-ol
CID 11874458
(5S,8R,9S,10S,11R,13S,14R,17S)-13-[(E)-hydroxyiminomethyl]-10-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-ol
CID 172956160
(5'S,8'R,9'S,10'R,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 11867895
(5S,8S,9R,10S,13S,14R,17R)-9-bromo-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one
CID 125031042
(5S,8R,9R,10R,13R,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
CID 7052586
(5'S,8'R,9'R,10'S,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-one
CID 124910665
(1'R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,18'S)-7',9',13'-trimethylspiro[1,3-dioxane-2,16'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane]-6'-one
CID 71770098

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one?
The IUPAC name of (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one (CID 124899139) is (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one.
What is the SMILES notation for (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one?
The canonical SMILES for (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one is CC1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@]32C(=O)O4)OCCO6)OCCO1.
What is the InChIKey of (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one?
The InChIKey is SPCOYRJFXKKGPF-FPEPEGINSA-N. The full InChI is InChI=1S/C25H36O6/c1-22-7-8-24(29-11-12-30-24)13-15(22)3-4-16-17-5-6-19(23(2)27-9-10-28-23)25(17)14-18(20(16)22)31-21(25)26/h15-20H,3-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22+,25+/m1/s1.
What are the key properties of (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one?
(1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one has a molecular weight of 432.56 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,5'R,6'S,9'R,14'S,15'S,16'R)-14'-methyl-2'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecane]-18'-one is sourced from PubChem (CID 124899139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).