Research chemical
CAS Number: 173938-23-3
![4-[7-(3,7-Dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal molecular structure, CAS 173938-23-3](/structure-images/173938-23-3.png?v=struct-v3)
Product details
PubChem CID
85052325
Exact Mass
614.324354
InChIKey
KYPSMUUXSFJTAR-UHFFFAOYSA-N
SMILES String
CC(C)=CCCC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=CC3CC4C(C)(C)OC(CC=C(C)C=O)(C3=O)C14O2
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-[7-(3,7-Dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal is identified by CAS 173938-23-3, with molecular formula C38H46O7, molecular weight 614.8, InChIKey KYPSMUUXSFJTAR-UHFFFAOYSA-N.
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Heavy atom count
45
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
10
Ring count
6
Aromatic rings
1
Topological polar surface area
110.13 Ų
Computed LogP
7.38
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-[7-(3,7-Dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11. 4. 1. 02,11. 02,15.
Sourcing context
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Research use context
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