Products for Research Use Only
RegisterLogin

Dracoflavan A

CAT: 0926-HFA18542-04Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-HFA18542-04Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
132185-42-3
Smiles
C1=C (C=C (C=C1C (=O) O) C (F) (F) F) C2=C (C=C (C=C2F) F) F
Molecular Formula
C49H46O10
Molecular Weight
794.90 g/mol
Controlled
No

Chemical Information

[2-[2,2-Bis[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethyl]-5-hydroxy-3-methoxy-4-methylphenyl] benzoate

Dracoflavan A has been reported in Calamus draco with data available.

CAS Number132185-42-3
PubChem CID14885877
IUPAC Name[2-[2,2-bis[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethyl]-5-hydroxy-3-methoxy-4-methylphenyl] benzoate
Molecular FormulaC49H46O10
Molecular Weight794.9
XLogP10
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count59
Formal Charge0
Complexity1250
SMILES
CC1=C(C(=C(C=C1O)OC(=O)C2=CC=CC=C2)CC(C3=C4C(=C(C=C3O)OC)CC[C@H](O4)C5=CC=CC=C5)C6=C7C(=C(C=C6O)OC)CC[C@H](O7)C8=CC=CC=C8)OC
InChI
InChI=1S/C49H46O10/c1-28-36(50)25-43(59-49(53)31-18-12-7-13-19-31)34(46(28)56-4)24-35(44-37(51)26-41(54-2)32-20-22-39(57-47(32)44)29-14-8-5-9-15-29)45-38(52)27-42(55-3)33-21-23-40(58-48(33)45)30-16-10-6-11-17-30/h5-19,25-27,35,39-40,50-52H,20-24H2,1-4H3/t39-,40-/m0/s1
InChIKey
VOQIJACLUQIMIE-ZAQUEYBZSA-N
Chemical Structure
2D Structure
2D structure of [2-[2,2-Bis[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]ethyl]-5-hydroxy-3-methoxy-4-methylphenyl] benzoate
CAS: 132185-42-3
CID: 14885877
Formula: C49H46O10
MW: 794.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight794.9
XLogP310
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass794.30909766
Monoisotopic Mass794.30909766
Topological Polar Surface Area133 Ų
Heavy Atom Count59
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T126053-01Dracoflavan A
GTR19228452-01Dracoflavan C2
T125453-01Dracoflavan B2
380137Dracoflavan B1
MBS5790930Dracoflavan C1

Popular Products