CID 13370497

C23H34O5 — CID 13370497

IUPAC—
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H34O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,17-19,24H,3-15H2,1H3/t17-,18-,19-,20-,21+/m0/s1
InChIKeyWZUVPYRTNFNLNJ-UQVNRYHBSA-N
MW390.52 g/mol
LogP3.41
Rot. Bonds1

About CID 13370497

CID 13370497 (PubChem CID 13370497) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol.

Molecular Properties

Compound NameCID 13370497
PubChem CID13370497
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name—
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H34O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,17-19,24H,3-15H2,1H3/t17-,18-,19-,20-,21+/m0/s1
InChIKeyWZUVPYRTNFNLNJ-UQVNRYHBSA-N
XLogP3.41
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 22847993
CID 22847993
CID 54514194
CID 54514194
CID 125035711
CID 125035711
17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CID 3782755
CID 85434738
CID 85434738
(3S,8R,10R,13S,14S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 146888028
CID 11872269
CID 11872269
CID 40544151
CID 40544151
10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 14445373
(8'R,9'R,10'R,13'S,14'R,17'S)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 139024434
(8S,9R,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 125027740
(8R,9S,10R,13S,14S,17S)-10-ethyl-17-methoxy-13-methylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
CID 90346949

Frequently Asked Questions

What is the IUPAC name of CID 13370497?
The IUPAC name of CID 13370497 (CID 13370497) is not available.
What is the SMILES notation for CID 13370497?
The canonical SMILES for CID 13370497 is C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of CID 13370497?
The InChIKey is WZUVPYRTNFNLNJ-UQVNRYHBSA-N. The full InChI is InChI=1S/C23H34O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,17-19,24H,3-15H2,1H3/t17-,18-,19-,20-,21+/m0/s1.
What are the key properties of CID 13370497?
CID 13370497 has a molecular weight of 390.52 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13370497 is sourced from PubChem (CID 13370497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).