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Pterokaurane R

CAT: 0926-SCA34943-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SCA34943-04Size:50 mg
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CAS Number
67349-43-3
MDL Number
MFCD26406158
Smiles
CC1 (CC (CC2 (C1CCC34C2CCC (C3) C (C4) (C) O) C) O) CO
Molecular Formula
C20H34O3
Molecular Weight
322.5 g/mol
Controlled
No

Chemical Information

Pterokaurane R

Pterokaurane R has been reported in Pteris ryukyuensis with data available.

CAS Number67349-43-3
PubChem CID101324849
IUPAC Name(1S,4S,5S,7S,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-7,14-diol
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP3.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity507
SMILES
C[C@@]1(C[C@H](C[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)C)O)CO
InChI
InChI=1S/C20H34O3/c1-17(12-21)9-14(22)10-18(2)15(17)6-7-20-8-13(4-5-16(18)20)19(3,23)11-20/h13-16,21-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
InChIKey
MXIMVMNHKVTJLO-JULPPZSOSA-N
Chemical Structure
2D Structure
2D structure of Pterokaurane R
CAS: 67349-43-3
CID: 101324849
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity507
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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CatalogName
TN4853Pterokaurane R

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