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Spiranthol A

CAT: 0804-HY-N11033-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11033-01Size:1 mg
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Description
Spiranthol A is a natural product that can be isolated from Spiranthes sinensis var. amoena[1].
CAS Number
126192-35-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/spiranthol-a.html
Solubility
10 mM in DMSO
Smiles
OC(C(C/C=C(C)\C)=C1CC2)=CC=C1C3=C2C=C(OC)C=C3O
Molecular Formula
C20H22O3
Molecular Weight
310.39
References & Citations
[1]TEZUKA Y, et al. Studies on the Constituents of Orchidaceous Plants. VIII.: Constituents of Spiranthes sinensis (PERS.) AMES var. amoena (M. BIEBERSON) HARA. (1) . Isolation and Structure Elucidation of Spiranthol-A, Spiranthol-B, and Spirasineol-A, New Isopentenyldihydrophenanthrenes. Chemical and pharmaceutical bulletin, 1989, 37 (12) : 3195-3199.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Spiranthol A

Spiranthol A has been reported in Spiranthes vernalis and Spiranthes sinensis with data available.

CAS Number126192-35-6
PubChem CID10018282
IUPAC Name7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol
Molecular FormulaC20H22O3
Molecular Weight310.4
XLogP5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity429
SMILES
CC(=CCC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)OC)O)O)C
InChI
InChI=1S/C20H22O3/c1-12(2)4-6-16-15-7-5-13-10-14(23-3)11-19(22)20(13)17(15)8-9-18(16)21/h4,8-11,21-22H,5-7H2,1-3H3
InChIKey
RXGNSLYFKVUHDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiranthol A
CAS: 126192-35-6
CID: 10018282
Formula: C20H22O3
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass310.15689456
Monoisotopic Mass310.15689456
Topological Polar Surface Area49.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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