4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one

Modify Date: 2026-03-31 05:21:16

4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one Structure
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one structure
Common Name 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one
CAS Number 160495-64-7 Molecular Weight 350.4
Density N/A Boiling Point N/A
Molecular Formula C20H30O5 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one

 Chemical & Physical Properties

Molecular Formula C20H30O5
Molecular Weight 350.4
InChIKey KHQNSSJNIXVKMK-QSCDNJGLSA-N
SMILES C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CC(C3=CCOC3=O)O)(C)CO)O

 Bioassay

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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant ...
Source: NCGC
External Id: s-sky_synergy-MV-411_DR-CTG72-MIPE_NPC_NPACT_Kinase-p1
Name: Cytotoxicity against human MDA-MB-231 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: MDA-MB-231
External Id: CHEMBL3424917
Name: Cytotoxicity against human NP14 cells after 48 hrs by MTT assay
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3424918
Name: Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 ce...
Source: NCGC
External Id: s-sky_synergy-MV-411_N-CTG72-MIPE_NPC_NPACT_Kinase-p1
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