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Biatractylolide

CAT: 0931-TN6469-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6469-02Size:5 mg
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CAS Number
182426-37-5
Target
Apoptosis, Others
Related Pathways
Apoptosis, Others
Bioactivity
Biatractylolide is a natural product that can be used for research related to the life sciences.
Smiles
CC1=C2[C@@](C[C@@]3(C)[C@](C2)(C(=C)CCC3)[H])(OC1=O)[C@]45C(C[C@]6([C@](C)(C4)CCCC6=C)[H])=C(C)C(=O)O5
Molecular Formula
C30H38O4
Molecular Weight
462.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Biatractylolide

Biatractylolide has been reported in Trattinnickia rhoifolia and Atractylodes macrocephala with data available.

CAS Number182426-37-5
PubChem CID11225032
IUPAC Name(4aR,8aS,9aR)-9a-[(4aR,8aS,9aR)-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl]-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Molecular FormulaC30H38O4
Molecular Weight462.6
XLogP5.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity1030
SMILES
CC1=C2C[C@@H]3C(=C)CCC[C@]3(C[C@]2(OC1=O)[C@@]45C[C@@]6(CCCC(=C)[C@H]6CC4=C(C(=O)O5)C)C)C
InChI
InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m1/s1
InChIKey
RBJDJJGMGHKQMI-XETGTQJKSA-N
Chemical Structure
2D Structure
2D structure of Biatractylolide
CAS: 182426-37-5
CID: 11225032
Formula: C30H38O4
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass462.27700969
Monoisotopic Mass462.27700969
Topological Polar Surface Area52.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5788547Biatractylolide

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