Molecules/(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

C25H44O3392.60 g/molCID 101886309

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Molecular Identity

(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

PubChem CID: 101886309

2D Structure

Properties

C₂₅H₄₄O₃

Molecular Formula

392.60

Molecular Weight

g/mol

392.3290

Exact Mass

5.5

XLogP

Above Lipinski threshold

60.7

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

564

Complexity

SMILES

Canonical SMILES

SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCO)C)C)O

Isomeric SMILES

SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCO)C)C)O

Synonyms(20)

1612191-86-2BAR502BAR 502BAR-502MFCD31381922(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diolCHEMBL3342086(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-4-hydroxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol24-Norcholane-3,7,23-triol, 6-ethyl-, (3alpha,5beta,6alpha,7alpha)-(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-Ethyl-17-[(R)-4-hydroxy-2-butyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diolNorECDCOHorb1220192orb1296098SCHEMBL21813286GTPL14680

Data from PubChem (NCBI)

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Molecular Structure

(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

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2D molecular structure of (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Source: PubChem

Drug Network

Trials and conditions connected to (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

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