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Blestrianol A

CAT: 0013-GTR19243054-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243054-02Size:10 mg
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Description
Blestrianol A is a bioactive small molecule for life science research. It serves as a valuable tool compound for investigating biological mechanisms in both in vitro and in vivo experimental models.
CAS Number
136966-83-1
Smiles
OC1=CC=C2C (=C1) CCC3=CC (O) =C (C (OC) =C23) C=4C (O) =CC (OC) =C5C6=CC=C (O) C=C6CCC54
Molecular Formula
C30H26O6
Molecular Weight
482.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol

Blestrianol A has been reported in Bletilla striata and Bletilla formosana with data available.

CAS Number136966-83-1
PubChem CID14863073
IUPAC Name3-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
Molecular FormulaC30H26O6
Molecular Weight482.5
XLogP5.9
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity762
SMILES
COC1=C2C(=C(C(=C1)O)C3=C(C=C4CCC5=C(C4=C3OC)C=CC(=C5)O)O)CCC6=C2C=CC(=C6)O
InChI
InChI=1S/C30H26O6/c1-35-25-14-24(34)28(22-8-5-16-12-19(32)7-10-21(16)27(22)25)29-23(33)13-17-4-3-15-11-18(31)6-9-20(15)26(17)30(29)36-2/h6-7,9-14,31-34H,3-5,8H2,1-2H3
InChIKey
SRKMCQJMXFPIDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
CAS: 136966-83-1
CID: 14863073
Formula: C30H26O6
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass482.17293854
Monoisotopic Mass482.17293854
Topological Polar Surface Area99.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity762
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

Alternative Products

CatalogName
TN8545-01Blestrianol A

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