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Momilactone A

CAT: 1596-AR-M05049-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M05049-02Size:25 Units
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CAS Number
51415-07-7
Molecular Formula
C20H26O3
Molecular Weight
314.43
API Name
Momilactone

Chemical Information

Momilactone A

Momilactone A is a pimarane diterpenoid and a diterpene lactone.

CAS Number51415-07-7
PubChem CID162644
IUPAC Name(1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
Molecular FormulaC20H26O3
Molecular Weight314.4
XLogP3.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity647
SMILES
C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C
InChI
InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1
InChIKey
MPHXYQVSOFGNEN-JGHPTVLTSA-N
Chemical Structure
2D Structure
2D structure of Momilactone A
CAS: 51415-07-7
CID: 162644
Formula: C20H26O3
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area43.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-M223001-01Momilactone A
FM184161-01Momilactone B
MBS1377057-01Recombinant Oryza sativa subsp. japonica Momilactone A synthase (Os04g0179200, LOC_Os04g10010)

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