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Bionectriol A

CAT: 0931-T126238-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126238-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1201896-30-1
Target
Others
Related Pathways
Others
Bioactivity
Bionectriol A is a useful organic compound for research related to life sciences. The catalog number is T126238 and the CAS number is 1201896-30-1.
Smiles
CCC(C)CC(C)\C=C(/C)C(OC1OC(CO)C(O)C(O)C1O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(O)C(C)\C=C(/C)C(=O)OCC(O)C(O)C(O)CO
Molecular Formula
C40H70O14
Molecular Weight
774.986
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3,4,5-tetrahydroxypentyl (2E,6E,10E,14E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate
CAS Number1201896-30-1
PubChem CID155978908
IUPAC Name2,3,4,5-tetrahydroxypentyl (2E,6E,10E,14E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate
Molecular FormulaC40H70O14
Molecular Weight775.0
XLogP3
Topological Polar Surface Area247
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Heavy Atom Count54
Formal Charge0
Complexity1250
SMILES
CCC(C)CC(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(=O)OCC(C(C(CO)O)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C40H70O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h13-16,20-22,25,27,29-38,40-50H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+
InChIKey
GCBOFAMJKLBCMW-JOZFWXNKSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4,5-tetrahydroxypentyl (2E,6E,10E,14E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate
CAS: 1201896-30-1
CID: 155978908
Formula: C40H70O14
MW: 775.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight775.0
XLogP33
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count23
Exact Mass774.47655690
Monoisotopic Mass774.47655690
Topological Polar Surface Area247 Ų
Heavy Atom Count54
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19227751-01Bionectriol A

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