CID 160790886

C26H32O3 — CID 160790886

IUPAC—
SMILESC[C@]12CC3(CC3)C(=O)C=C1[C@H]1CC1C1C2CC[C@@]2(C)C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C26H32O3/c1-23-12-25(7-8-25)19(27)11-17(23)13-9-14(13)21-16(23)3-5-24(2)22(21)15-10-18(15)26(24)6-4-20(28)29-26/h11,13-16,18,21-22H,3-10,12H2,1-2H3/t13-,14?,15?,16?,18?,21?,22?,23+,24-,26-/m0/s1
InChIKeyYBINYOJPENETRV-URIAGYEQSA-N
MW392.54 g/mol
LogP4.70
Rot. Bonds

About CID 160790886

CID 160790886 (PubChem CID 160790886) has the molecular formula C26H32O3 and a molecular weight of 392.54 g/mol.

Molecular Properties

Compound NameCID 160790886
PubChem CID160790886
Molecular FormulaC26H32O3
Molecular Weight392.54 g/mol
Exact Mass392.24
IUPAC Name—
SMILESC[C@]12CC3(CC3)C(=O)C=C1[C@H]1CC1C1C2CC[C@@]2(C)C1C1CC1[C@@]21CCC(=O)O1
InChIInChI=1S/C26H32O3/c1-23-12-25(7-8-25)19(27)11-17(23)13-9-14(13)21-16(23)3-5-24(2)22(21)15-10-18(15)26(24)6-4-20(28)29-26/h11,13-16,18,21-22H,3-10,12H2,1-2H3/t13-,14?,15?,16?,18?,21?,22?,23+,24-,26-/m0/s1
InChIKeyYBINYOJPENETRV-URIAGYEQSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 59779299
(1R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 143842889
(10R,14S,15S,16S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 143801851
(10R,14S,15R)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
CID 102552705
(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
(1'R,2'S,3'S,5S,5'S,7'S,10'S,11'R,18'S)-18'-(hydroxymethyl)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 71749144
(4S,14S,15S)-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5(10)-ene-15,5'-oxolane]-2',7-dione
CID 91608795
(1R,2R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-4-ene-15,5'-oxolane]-2',7-dione
CID 91145991
2-[2-(6,6-dimethyl-3-oxocyclohexen-1-yl)cyclopropyl]-5a-methylspiro[1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene-6,5'-oxolane]-2'-one
CID 123872896
(4'R,5R,10'R,14'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione
CID 50909327
(1R,2R,4R,5R,7S,10R,11R,14S,15S,16S,18S,19R)-5,7-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2'-one
CID 139025212
(5R,10R,14S)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione
CID 15986037

Frequently Asked Questions

What is the IUPAC name of CID 160790886?
The IUPAC name of CID 160790886 (CID 160790886) is not available.
What is the SMILES notation for CID 160790886?
The canonical SMILES for CID 160790886 is C[C@]12CC3(CC3)C(=O)C=C1[C@H]1CC1C1C2CC[C@@]2(C)C1C1CC1[C@@]21CCC(=O)O1.
What is the InChIKey of CID 160790886?
The InChIKey is YBINYOJPENETRV-URIAGYEQSA-N. The full InChI is InChI=1S/C26H32O3/c1-23-12-25(7-8-25)19(27)11-17(23)13-9-14(13)21-16(23)3-5-24(2)22(21)15-10-18(15)26(24)6-4-20(28)29-26/h11,13-16,18,21-22H,3-10,12H2,1-2H3/t13-,14?,15?,16?,18?,21?,22?,23+,24-,26-/m0/s1.
What are the key properties of CID 160790886?
CID 160790886 has a molecular weight of 392.54 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160790886 is sourced from PubChem (CID 160790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).