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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H39BO
Molecular Weight 378.398
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NB-ENANTRANE

SMILES

CC1(C)[C@@H]2C[C@H]1[C@H](CCOCC3=CC=CC=C3)[C@H](C2)B4[C@H]5CCC[C@@H]4CCC5

InChI

InChIKey=OTFFBHKQLFFQNX-FLEOUKIISA-N
InChI=1S/C26H39BO/c1-26(2)20-16-24(26)23(14-15-28-18-19-8-4-3-5-9-19)25(17-20)27-21-10-6-11-22(27)13-7-12-21/h3-5,8-9,20-25H,6-7,10-18H2,1-2H3/t20-,21-,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H39BO
Molecular Weight 378.398
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YDL71E95D9
Record Status Validated (UNII)
Record Version