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Carabrolactone A

CAT: 0804-HY-N3538Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3538Size:1 Each
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Description
Carabrolactone A is a Sesquiterpenoids product that can be isolated from the rhizomes of Carpesium abrotanoides[1].
CAS Number
1187925-30-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/carabrolactone-a.html
Smiles
C[C@@]12[C@@H](C[C@@H]([C@]([C@H]3CC([C@@H]4C)[C@](OC4=O)([H])C2)(O3)C)O)O1
Molecular Formula
C15H22O5
Molecular Weight
282.33
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

CID 91895394

CID 91895394 has been reported in Carpesium faberi with data available.

CAS Number1187925-30-9
PubChem CID91895394
IUPAC Name(1R,3R,5R,6S,8R,10R,12S,15S)-6-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadecan-14-one
Molecular FormulaC15H22O5
Molecular Weight282.33
XLogP0.8
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity465
SMILES
C[C@H]1[C@H]2C[C@@H]3[C@](O3)([C@H](C[C@@H]4[C@](O4)(C[C@@H]2OC1=O)C)O)C
InChI
InChI=1S/C15H22O5/c1-7-8-4-12-15(3,20-12)10(16)5-11-14(2,19-11)6-9(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8+,9-,10-,11+,12+,14+,15+/m0/s1
InChIKey
CFCZKBUBOFFSDG-RWDDTAIWSA-N
Chemical Structure
2D Structure
2D structure of CID 91895394
CAS: 1187925-30-9
CID: 91895394
Formula: C15H22O5
MW: 282.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.33
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass282.14672380
Monoisotopic Mass282.14672380
Topological Polar Surface Area71.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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