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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29BrO2
Molecular Weight 393.358
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NSC-2964

SMILES

COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]1CCC3=CC(C(C)C)=C(Br)C=C23

InChI

InChIKey=KRUHQBUNFDJMRN-GIVPXCGWSA-N
InChI=1S/C21H29BrO2/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h11-13,18H,6-10H2,1-5H3/t18-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29BrO2
Molecular Weight 393.358
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P5NJ2VCF8W
Record Status Validated (UNII)
Record Version