(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione

C25H34O3 — CID 143600411

IUPAC(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione
SMILESCC1C2CC2C[C@@]2(CCC(=O)O2)C(C)CCC2C3CCC(=O)C=C3C3CC3C12
InChIInChI=1S/C25H34O3/c1-13-3-5-18-17-6-4-16(26)10-20(17)21-11-22(21)24(18)14(2)19-9-15(19)12-25(13)8-7-23(27)28-25/h10,13-15,17-19,21-22,24H,3-9,11-12H2,1-2H3/t13?,14?,15?,17?,18?,19?,21?,22?,24?,25-/m0/s1
InChIKeyNTOOREXLQCQASA-XVDNOGQLSA-N
MW382.54 g/mol
LogP4.94
Rot. Bonds

About (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione

(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione (PubChem CID 143600411) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione.

Molecular Properties

Compound Name(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione
PubChem CID143600411
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione
SMILESCC1C2CC2C[C@@]2(CCC(=O)O2)C(C)CCC2C3CCC(=O)C=C3C3CC3C12
InChIInChI=1S/C25H34O3/c1-13-3-5-18-17-6-4-16(26)10-20(17)21-11-22(21)24(18)14(2)19-9-15(19)12-25(13)8-7-23(27)28-25/h10,13-15,17-19,21-22,24H,3-9,11-12H2,1-2H3/t13?,14?,15?,17?,18?,19?,21?,22?,24?,25-/m0/s1
InChIKeyNTOOREXLQCQASA-XVDNOGQLSA-N
XLogP4.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione with MolForge

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Related Compounds

(2R,10'R,14'S)-14'-methylspiro[oxolane-2,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-7'-one
CID 70827910
(10'R,14'S)-14'-methylspiro[2H-furan-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-7'-one
CID 143827673
(1S,2R,4R,10R,11S,14S,15R,18S)-14-ethyl-15-hydroxy-15-(3-hydroxypropyl)pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-7-one
CID 70625929
(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one
CID 89172706
CID 101182657
CID 101182657
(13R,17S)-6,13,17-trimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 58687196
(1S,2R,4R,10R,11S,14S,15S,16S,18R,19S)-14,15-diethyl-7-oxohexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15-carbonitrile
CID 46235360
(5S,7'S,18'S)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612712
(5S,7'S,17'R)-17'-(hydroxymethyl)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 59612698
(7S,17S)-17-ethyl-6,7,13-trimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 59974531
(13S,15R,16R,17S)-13,15,16-trimethylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 163806147
(2R,4R,15R,16S,18R)-14-ethyl-15-methyl-15-[(Z)-3-nitrosoprop-1-enyl]hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-en-7-one
CID 89115322

Frequently Asked Questions

What is the IUPAC name of (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione?
The IUPAC name of (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione (CID 143600411) is (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione.
What is the SMILES notation for (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione?
The canonical SMILES for (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione is CC1C2CC2C[C@@]2(CCC(=O)O2)C(C)CCC2C3CCC(=O)C=C3C3CC3C12.
What is the InChIKey of (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione?
The InChIKey is NTOOREXLQCQASA-XVDNOGQLSA-N. The full InChI is InChI=1S/C25H34O3/c1-13-3-5-18-17-6-4-16(26)10-20(17)21-11-22(21)24(18)14(2)19-9-15(19)12-25(13)8-7-23(27)28-25/h10,13-15,17-19,21-22,24H,3-9,11-12H2,1-2H3/t13?,14?,15?,17?,18?,19?,21?,22?,24?,25-/m0/s1.
What are the key properties of (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione?
(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione has a molecular weight of 382.54 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione is sourced from PubChem (CID 143600411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).