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101401-88-1

101401-88-1 | 4a,7-Epoxy-3,8b-ethano-1H,5aH-cyclopenta[4,5]furo[3,2-c]pyran-5a-methanol, hexahydro-3,8a-dimethyl-, (3S,4aR,5aR,7R,8aR,8bR)- (9CI)

CAS No: 101401-88-1 Catalog No: AG0004EK MDL No:

Product Description

Catalog Number:
AG0004EK
Chemical Name:
4a,7-Epoxy-3,8b-ethano-1H,5aH-cyclopenta[4,5]furo[3,2-c]pyran-5a-methanol, hexahydro-3,8a-dimethyl-, (3S,4aR,5aR,7R,8aR,8bR)- (9CI)
CAS Number:
101401-88-1
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
[(1R,2R,4R,6R,8R,10S)-2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.14,8.01,8.02,6]pentadecan-6-yl]methanol
InChI:
InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3/t10-,11+,12-,13+,14+,15-/m1/s1
InChI Key:
RGGZJNLZRGIMHQ-BYGOPZEFSA-N
SMILES:
OC[C@]12C[C@H]3C[C@]2(C)[C@]24[C@@](O1)(O3)C[C@](CC2)(OC4)C
UNII:
YXJ027JND6

Properties

Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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