3α,11-Dihydroxy-9,11-seco-cholest-4,7-dien-6,9-dione

SANC00233

Entry name:

3α,11-Dihydroxy-9,11-seco-cholest-4,7-dien-6,9-dione

Formula:

C₂₇H₄₂O₄

Molecular mass:

430.62

ChEMBL ID:

CHEMBL401943

ChemSpider ID:

23314425

CAS No.

1015763-02-6

2D Image 3D View

SMILES:

C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)C2=CC(=O)C3=C[C@@H](CC[C@@]3(C2=O)C)O

Scaffold SMILES:

C1=CCCCC1
O=C1C=CCCC1
C=C1CCC=CC1=O

References

van Wyk et al. (2008) Bioactive metabolites from the South African marine mollusk Trimusculus costatus

Classifications

Diterpene

Terpenoid

Phenol lipids (Classyfire)

Other Names

1,4-Naphthalenedione, 2-[(1R,2R,3R)-3-[(1R)-1,5-Dimethylhexyl]-2-(2-Hydroxyethyl)-2-Methylcyclopentyl]-6,7,8,8A-Tetrahydro-6-Hydroxy-8A-Methyl-, (6R,8As)

Source Organisms

Trimusculus costatus

Compound Uses

Anticancer

SANC00233

Entry name:

3α,11-Dihydroxy-9,11-seco-cholest-4,7-dien-6,9-dione

Formula:

C₂₇H₄₂O₄

Molecular mass:

430.62

ChEMBL ID:

CHEMBL401943

ChemSpider ID:

23314425

CAS No.

1015763-02-6

View analogs

SMILES:

C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)C2=CC(=O)C3=C[C@@H](CC[C@@]3(C2=O)C)O

Scaffold SMILES:

C1=CCCCC1
O=C1C=CCCC1
C=C1CCC=CC1=O

References

Classifications

Other Names

Source Organisms

Compound Uses

Quick search

SANC00233

Entry name:

3α,11-Dihydroxy-9,11-seco-cholest-4,7-dien-6,9-dione

Formula:

C27H42O4

Molecular mass:

430.62

ChEMBL ID:

CHEMBL401943

ChemSpider ID:

23314425

CAS No.

1015763-02-6

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View analogs

SMILES:

C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)C2=CC(=O)C3=C[C@@H](CC[C@@]3(C2=O)C)O Search PubChem SMILES

Scaffold SMILES:

C1=CCCCC1 O=C1C=CCCC1 C=C1CCC=CC1=O

References

Classifications

Other Names

Source Organisms

Compound Uses

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C₂₇H₄₂O₄

C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)C2=CC(=O)C3=C[C@@H](CC[C@@]3(C2=O)C)O

C1=CCCCC1
O=C1C=CCCC1
C=C1CCC=CC1=O