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Campesteryl Ferulate

CAT: 0572-TRC-C155368-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C155368-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20972-07-0
Synonyms
Campesterol Ferulate; Campesterol Ferulic Acid Ester; (24R)-4-Hydroxy-3-methoxycinnamate Ergost-5-en-3β-ol
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(/C=C/C1=CC(OC)=C(O)C=C1)O[C@@H]2CC3=CC[C@]4([H])[C@@](CC[C@@]5(C)[C@]4([H])CC[C@@]5([H])C(C)CC[C@@H](C)C(C)C)([H])[C@]3(CC2)C
Molecular Formula
C38H56O4
Molecular Weight
576.85
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Campesteryl Ferulate

Campesteryl ferulate is a steroid ester.

CAS Number20972-07-0
PubChem CID15056832
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC38H56O4
Molecular Weight576.8
XLogP11.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity999
SMILES
C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C
InChI
InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11+/t25-,26-,29+,30+,31-,32+,33+,37+,38-/m1/s1
InChIKey
SWIWTAJTJOYCTB-NMYXBGBTSA-N
Chemical Structure
2D Structure
2D structure of Campesteryl Ferulate
CAS: 20972-07-0
CID: 15056832
Formula: C38H56O4
MW: 576.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.8
XLogP311.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass576.41786026
Monoisotopic Mass576.41786026
Topological Polar Surface Area55.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity999
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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443832-01Campesteryl Ferulate
WAA23833-01Cycloartenyl ferulate
FCA51107(-) -Bornyl ferulate
TN3495Benzyl ferulate
HY-N1916-01Coniferyl ferulate
AB3004Phenethyl ferulate
AB0963Ethyl ferulate
MBS5762458Geranyl ferulate
GTR19178180Isopropyl ferulate
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