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Nimbosone

CAT: 0013-GTR19193347-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193347-02Size:100 mg
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Description
Nimbosone is a structurally unique tricyclic diterpenoid of natural origin. It serves as a valuable research compound for investigating diterpenoid biosynthesis and biological activity in various in vitro pharmacological and biochemical assays.
CAS Number
19889-21-5
Smiles
C[C@@]12C=3C (=CC (C (C) =O) =C (OC) C3) CC[C@]1 (C (C) (C) CCC2) [H]
Molecular Formula
C20H28O2
Molecular Weight
300.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nimbosone

Nimbosone has been reported in Azadirachta indica with data available.

CAS Number19889-21-5
PubChem CID177090
IUPAC Name1-[(4bS,8aS)-3-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethanone
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP5.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity441
SMILES
CC(=O)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)OC
InChI
InChI=1S/C20H28O2/c1-13(21)15-11-14-7-8-18-19(2,3)9-6-10-20(18,4)16(14)12-17(15)22-5/h11-12,18H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKey
CAMSIQFCDJQXMD-AZUAARDMSA-N
Chemical Structure
2D Structure
2D structure of Nimbosone
CAS: 19889-21-5
CID: 177090
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T33675-01Nimbosone

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