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Eriocalyxin B

CAT: 1410-M29139-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M29139-06Size:100 mg
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Description
Eriocalyxin B induces apoptosis and cell cycle arrest in pancreatic adenocarcinoma cells through caspase- and p53-dependent pathways, should be considered a candidate for pancreatic cancer treatment.
CAS Number
84745-95-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
344.407
Molecular Formula
C20H24O5
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

Eriocalyxin B

(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione has been reported in Isodon eriocalyx with data available.

CAS Number84745-95-9
PubChem CID16202215
IUPAC Name(1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione
Molecular FormulaC20H24O5
Molecular Weight344.4
XLogP1.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity766
SMILES
CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)C
InChI
InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,16+,18-,19+,20-/m1/s1
InChIKey
RTIKCEKESDRWAE-UJVKWQRCSA-N
Chemical Structure
2D Structure
2D structure of Eriocalyxin B
CAS: 84745-95-9
CID: 16202215
Formula: C20H24O5
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass344.16237386
Monoisotopic Mass344.16237386
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes