CID 1268909

C23H32O5 — CID 1268909

IUPAC—
SMILESC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]21OCO[C@@]12COCO2
InChIInChI=1S/C23H32O5/c1-20-8-5-16(24)11-15(20)3-4-17-18(20)6-9-21(2)19(17)7-10-22(21)23(28-14-26-22)12-25-13-27-23/h11,17-19H,3-10,12-14H2,1-2H3/t17-,18-,19-,20-,21+,22+,23+/m1/s1
InChIKeyWFZVFCIUAYURKP-FNGVLVINSA-N
MW388.50 g/mol
LogP3.96
Rot. Bonds

About CID 1268909

CID 1268909 (PubChem CID 1268909) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol.

Molecular Properties

Compound NameCID 1268909
PubChem CID1268909
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name—
SMILESC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]21OCO[C@@]12COCO2
InChIInChI=1S/C23H32O5/c1-20-8-5-16(24)11-15(20)3-4-17-18(20)6-9-21(2)19(17)7-10-22(21)23(28-14-26-22)12-25-13-27-23/h11,17-19H,3-10,12-14H2,1-2H3/t17-,18-,19-,20-,21+,22+,23+/m1/s1
InChIKeyWFZVFCIUAYURKP-FNGVLVINSA-N
XLogP3.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25422375
CID 25422375
CID 124898168
CID 124898168
SCHEMBL2077084
CID 59810282
(8S,9R,10R,13S,14R,17R)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 11869585
(8S,9R,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 124898787
(8S,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 163028332
(2'R,8R,9S,10R,13S,14S,17R)-2'-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,1'-cyclopropane]-3-one
CID 10448380
(10R,13S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 18594033
(8R,9S,10S,13R,14R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 11888958
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7076287
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 131668045
(9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 89336606

Frequently Asked Questions

What is the IUPAC name of CID 1268909?
The IUPAC name of CID 1268909 (CID 1268909) is not available.
What is the SMILES notation for CID 1268909?
The canonical SMILES for CID 1268909 is C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@]21OCO[C@@]12COCO2.
What is the InChIKey of CID 1268909?
The InChIKey is WFZVFCIUAYURKP-FNGVLVINSA-N. The full InChI is InChI=1S/C23H32O5/c1-20-8-5-16(24)11-15(20)3-4-17-18(20)6-9-21(2)19(17)7-10-22(21)23(28-14-26-22)12-25-13-27-23/h11,17-19H,3-10,12-14H2,1-2H3/t17-,18-,19-,20-,21+,22+,23+/m1/s1.
What are the key properties of CID 1268909?
CID 1268909 has a molecular weight of 388.50 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 1268909 is sourced from PubChem (CID 1268909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).