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Abiesinol F

CAT: 0013-GTR19182161Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182161Size:5 mg
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Description
Abiesinol F
CAS Number
1190070-91-7
Smiles
O[C@@H]1Cc2c (O) cc3OC (=O) [C@]4 ([C@H] (Oc5cc (O) cc (O) c45) c4ccc (O) cc4) c3c2O[C@@H]1c1ccc (O) cc1
Molecular Formula
C30H22O10
Molecular Weight
542.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Larixinol

Larixinol has been reported in Abies sachalinensis and Larix gmelinii with data available.

CAS Number1190070-91-7
PubChem CID44559538
IUPAC Name(2R,2'R,3S,3'R)-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP3.3
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count40
Formal Charge0
Complexity947
SMILES
C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@]4([C@H](OC5=CC(=CC(=C54)O)O)C6=CC=C(C=C6)O)C(=O)O3)O)C7=CC=C(C=C7)O)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30+/m1/s1
InChIKey
RNDNBGULZNCSNB-QCWIYXSRSA-N
Chemical Structure
2D Structure
2D structure of Larixinol
CAS: 1190070-91-7
CID: 44559538
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP33.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area166 Ų
Heavy Atom Count40
Formal Charge0
Complexity947
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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