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Physapruin A

CAT: 0926-FGA17803-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FGA17803-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155178-03-3
Smiles
CC1=C (C (=O) OC (C1) C (C) (C2 (CCC3 (C2 (CCC4C3CC=C5C4 (C (=O) C=CC5O) C) C) O) O) O) C
Molecular Formula
C28H38O7
Molecular Weight
486.6 g/mol
Controlled
No

Chemical Information

Physapruin A

Physapruin A has been reported in Physalis peruviana and Physalis viscosa with data available.

CAS Number155178-03-3
PubChem CID21607598
IUPAC Name(2R)-2-[(1S)-1-hydroxy-1-[(4S,8R,9S,10R,13S,14R,17S)-4,14,17-trihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Molecular FormulaC28H38O7
Molecular Weight486.6
XLogP1.3
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity1090
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C=C[C@@H]5O)C)C)O)O)O)C
InChI
InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-12-27(33)18-6-7-19-20(29)8-9-21(30)25(19,4)17(18)10-11-24(27,28)3/h7-9,17-18,20,22,29,32-34H,6,10-14H2,1-5H3/t17-,18+,20-,22+,24-,25+,26-,27+,28-/m0/s1
InChIKey
WDHSBASYULCSAT-INQWNKEXSA-N
Chemical Structure
2D Structure
2D structure of Physapruin A
CAS: 155178-03-3
CID: 21607598
Formula: C28H38O7
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass486.26175355
Monoisotopic Mass486.26175355
Topological Polar Surface Area124 Ų
Heavy Atom Count35
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN4780Physapruin A

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