1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone

C24H34O4 — CID 67303319

IUPAC1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
SMILESCOC[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C
InChIInChI=1S/C24H34O4/c1-16(25)23(15-26-3)10-8-21-20-5-4-17-14-24(27-12-13-28-24)11-7-18(17)19(20)6-9-22(21,23)2/h6,20-21H,4-5,7-15H2,1-3H3/t20-,21+,22+,23+/m1/s1
InChIKeyXSQSFMYPWQWBND-LDVJMBRRSA-N
MW386.53 g/mol
LogP4.59
Rot. Bonds3

About 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone

1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone (PubChem CID 67303319) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone.

Molecular Properties

Compound Name1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
PubChem CID67303319
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
SMILESCOC[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C
InChIInChI=1S/C24H34O4/c1-16(25)23(15-26-3)10-8-21-20-5-4-17-14-24(27-12-13-28-24)11-7-18(17)19(20)6-9-22(21,23)2/h6,20-21H,4-5,7-15H2,1-3H3/t20-,21+,22+,23+/m1/s1
InChIKeyXSQSFMYPWQWBND-LDVJMBRRSA-N
XLogP4.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone?
The IUPAC name of 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone (CID 67303319) is 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone.
What is the SMILES notation for 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone?
The canonical SMILES for 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone is COC[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C.
What is the InChIKey of 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone?
The InChIKey is XSQSFMYPWQWBND-LDVJMBRRSA-N. The full InChI is InChI=1S/C24H34O4/c1-16(25)23(15-26-3)10-8-21-20-5-4-17-14-24(27-12-13-28-24)11-7-18(17)19(20)6-9-22(21,23)2/h6,20-21H,4-5,7-15H2,1-3H3/t20-,21+,22+,23+/m1/s1.
What are the key properties of 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone?
1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone has a molecular weight of 386.53 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S,13S,14S,17S)-17-(methoxymethyl)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone is sourced from PubChem (CID 67303319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).