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Saucerneol E

CAT: 0013-GTR19229145-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229145-02Size:2 mg
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Description
Saucerneol E (CAS 630096-18-3) is a natural product used as a research tool in life sciences. It is applied in both in vitro and in vivo studies to investigate its biological activities, such as potential anti-inflammatory and neuroprotective effects.
CAS Number
630096-18-3
Smiles
COc1ccc (cc1O) [C@@H] (O) [C@@H] (C) Oc1ccc (cc1OC) [C@H]1O[C@@H] ([C@H] (C) [C@H]1C) c1ccc2OCOc2c1
Molecular Formula
C30H34O8
Molecular Weight
522.594
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Saucerneol E

Saucerneol E has been reported in Saururus chinensis with data available.

CAS Number630096-18-3
PubChem CID10459397
IUPAC Name5-[(1R,2R)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol
Molecular FormulaC30H34O8
Molecular Weight522.6
XLogP5.1
Topological Polar Surface Area95.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity752
SMILES
C[C@@H]1[C@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O[C@H](C)[C@@H](C5=CC(=C(C=C5)OC)O)O)OC)C
InChI
InChI=1S/C30H34O8/c1-16-17(2)30(21-7-10-24-27(14-21)36-15-35-24)38-29(16)20-8-11-25(26(13-20)34-5)37-18(3)28(32)19-6-9-23(33-4)22(31)12-19/h6-14,16-18,28-32H,15H2,1-5H3/t16-,17-,18-,28+,29+,30+/m1/s1
InChIKey
UDWINLZYCCTMBM-BDVHUIKKSA-N
Chemical Structure
2D Structure
2D structure of Saucerneol E
CAS: 630096-18-3
CID: 10459397
Formula: C30H34O8
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass522.22536804
Monoisotopic Mass522.22536804
Topological Polar Surface Area95.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity752
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

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