CID 10788189

C24H34O2S2 — CID 10788189

IUPAC—
SMILESC[C@]12CCC3(C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)SCCS3
InChIInChI=1S/C24H34O2S2/c1-21-11-12-24(27-13-14-28-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)26-23/h15,17-19H,3-14H2,1-2H3/t17-,18+,19+,21+,22+,23-/m1/s1
InChIKeyZNQQZJTVLFWXEQ-PZCAJWILSA-N
MW418.67 g/mol
LogP6.20
Rot. Bonds

About CID 10788189

CID 10788189 (PubChem CID 10788189) has the molecular formula C24H34O2S2 and a molecular weight of 418.67 g/mol.

Molecular Properties

Compound NameCID 10788189
PubChem CID10788189
Molecular FormulaC24H34O2S2
Molecular Weight418.67 g/mol
Exact Mass418.20
IUPAC Name—
SMILESC[C@]12CCC3(C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)SCCS3
InChIInChI=1S/C24H34O2S2/c1-21-11-12-24(27-13-14-28-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)26-23/h15,17-19H,3-14H2,1-2H3/t17-,18+,19+,21+,22+,23-/m1/s1
InChIKeyZNQQZJTVLFWXEQ-PZCAJWILSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(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
(10R,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;methyl formate
CID 143813059
(10,13-dimethyl-5'-oxospiro[1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-yl) acetate
CID 3780168
(3R,8S,9R,10R,13S,14S,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 124902421
(10R,13S)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 17386583
(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,4'-oxetane]-2'-one
CID 141161315
S-(10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-1-yl) methanethioate
CID 59409133
(8S,9S,10R,13S,14S,17R)-10,13-dimethylspiro[1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3,11-trione
CID 95560774
11-hydroxy-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 21133122
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
CID 99569636

Frequently Asked Questions

What is the IUPAC name of CID 10788189?
The IUPAC name of CID 10788189 (CID 10788189) is not available.
What is the SMILES notation for CID 10788189?
The canonical SMILES for CID 10788189 is C[C@]12CCC3(C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)SCCS3.
What is the InChIKey of CID 10788189?
The InChIKey is ZNQQZJTVLFWXEQ-PZCAJWILSA-N. The full InChI is InChI=1S/C24H34O2S2/c1-21-11-12-24(27-13-14-28-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)26-23/h15,17-19H,3-14H2,1-2H3/t17-,18+,19+,21+,22+,23-/m1/s1.
What are the key properties of CID 10788189?
CID 10788189 has a molecular weight of 418.67 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10788189 is sourced from PubChem (CID 10788189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).