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Sarcophytoxide

CAT: 0931-T34527-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34527-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70748-49-1
Target
Others
Related Pathways
Others
Bioactivity
Sarcophytoxide is a polyoxygenated cembranoid from the soft coral Sarcophyton ehrenbergi.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
MBS5784031Sarcophytoxide

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