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Lophanthoidin F

CAT: 0127-BUP21976Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21976Size:1 mg
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CAS Number
120462-46-6
MDL Number
MFCD20260641
Purity
=98%
Smiles
CC12C3=C(C(OCC)C(O)C1C(C)(C)CCC2)C(=O)C(C(COC(C)=O)C)=C(O)C3=O

Chemical Information

Lophanthoidin F

Lophanthoidin F has been reported in Isodon lophanthoides with data available.

CAS Number120462-46-6
PubChem CID14193979
IUPAC Name2-[(4bS,8aS,9S,10S)-10-ethoxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
Molecular FormulaC24H34O7
Molecular Weight434.5
XLogP2.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity865
SMILES
CCO[C@@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)(C3=C1C(=C(C(=O)C3=O)C(C)COC(=O)C)O)C)O
InChI
InChI=1S/C24H34O7/c1-7-30-21-15-16(24(6)10-8-9-23(4,5)22(24)20(21)29)19(28)18(27)14(17(15)26)12(2)11-31-13(3)25/h12,20-22,26,29H,7-11H2,1-6H3/t12?,20-,21+,22+,24-/m1/s1
InChIKey
KAFLKOPTWXVBHC-RTPBUUFMSA-N
Chemical Structure
2D Structure
2D structure of Lophanthoidin F
CAS: 120462-46-6
CID: 14193979
Formula: C24H34O7
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass434.23045342
Monoisotopic Mass434.23045342
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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