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Sarcophytoxide

CAT: 0013-GTR19192725-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192725-01Size:25 mg
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Description
Sarcophytoxide is a cembranoid diterpene isolated from the soft coral Sarcophyton ehrenbergi. It has demonstrated significant anti-inflammatory and cytotoxic activities in vitro, making it a compound of interest for pharmacological and biomedical research.
CAS Number
70748-49-1
Smiles
CC1=C2CC\C (C) =C/CC[C@]3 (C) O[C@H]3CC\C (C) =C/[C@@H]2OC1
Molecular Formula
C20H30O2
Molecular Weight
302.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sarcophytoxide

a 14-membered marine cembranoid from Sarcophyton glaucum; structure in first source

CAS Number70748-49-1
PubChem CID146035638
IUPAC Name(1S,2Z,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP2.8
Topological Polar Surface Area21.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity526
SMILES
C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C\[C@H]3C(=C(CO3)C)CC1)/C)C
InChI
InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12-/t18-,19-,20-/m0/s1
InChIKey
OQGXDKRHMBRZCS-IFGSHBFESA-N
Chemical Structure
2D Structure
2D structure of Sarcophytoxide
CAS: 70748-49-1
CID: 146035638
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass302.224580195
Monoisotopic Mass302.224580195
Topological Polar Surface Area21.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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