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Daucosterin acetate

CAT: 0013-GTR19242893-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242893-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Daucosterin acetate is a bioactive natural compound utilized in biochemical and pharmacological research. It serves as a key intermediate in drug synthesis and is employed in both in vitro and in vivo studies to investigate its potential therapeutic activities.
CAS Number
4282-00-2
Product Name Alternative
Daucosterol acetate
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CC[C@H] (C (C) C) CC) C) (CC4) [H]) [H]) (CC=C1C[C@@H] (O[C@H]5[C@H] (OC (C) =O) [C@@H] (OC (C) =O) [C@H] (OC (C) =O) [C@@H] (COC (C) =O) O5) CC2) [H]) [H]
Molecular Formula
C43H68O10
Molecular Weight
745.01
Storage Conditions
Keep away from direct sunlight, keep away from moisture | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Daucosterin acetate

Tetraacetyldaucosterol has been reported in Rosa transmorrisonensis, Gymnosporia diversifolia, and other organisms with data available.

CAS Number4282-00-2
PubChem CID12895763
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate
Molecular FormulaC43H68O10
Molecular Weight745.0
XLogP9.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count53
Formal Charge0
Complexity1360
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C(C)C
InChI
InChI=1S/C43H68O10/c1-11-30(24(2)3)13-12-25(4)34-16-17-35-33-15-14-31-22-32(18-20-42(31,9)36(33)19-21-43(34,35)10)52-41-40(51-29(8)47)39(50-28(7)46)38(49-27(6)45)37(53-41)23-48-26(5)44/h14,24-25,30,32-41H,11-13,15-23H2,1-10H3/t25-,30-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43-/m1/s1
InChIKey
JCNOHQSTTZAMOE-STUKLFKUSA-N
Chemical Structure
2D Structure
2D structure of Daucosterin acetate
CAS: 4282-00-2
CID: 12895763
Formula: C43H68O10
MW: 745.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight745.0
XLogP39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass744.48124836
Monoisotopic Mass744.48124836
Topological Polar Surface Area124 Ų
Heavy Atom Count53
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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