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Momilactone B

CAT: 0926-FM184161-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FM184161-03Size:5 mg
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CAS Number
51415-08-8
Smiles
O=C1OC2C=C3CC (C=C) (C) CCC3C45COC (O) (CC4) C1 (C) C25
Molecular Formula
C20H26O4
Molecular Weight
330.42 g/mol
Controlled
No

Chemical Information

Momilactone B

Momilactone B is an organic heterotricyclic compound and an organooxygen compound.

CAS Number51415-08-8
PubChem CID3084979
IUPAC Name(1S,2R,5R,12R,18R)-5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
Molecular FormulaC20H26O4
Molecular Weight330.4
XLogP2.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity683
SMILES
C[C@]1(CC[C@@H]2C(=CC3[C@@H]4[C@]25CCC([C@@]4(C(=O)O3)C)(OC5)O)C1)C=C
InChI
InChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3/t13-,14?,15+,17-,18+,19+,20?/m1/s1
InChIKey
SONPFFIKLYCKOY-WXVXRDCTSA-N
Chemical Structure
2D Structure
2D structure of Momilactone B
CAS: 51415-08-8
CID: 3084979
Formula: C20H26O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass330.18310931
Monoisotopic Mass330.18310931
Topological Polar Surface Area55.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity683
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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