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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O4
Molecular Weight 438.5989
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANORDRIN

SMILES

[H][C@]12C[C@](C[C@]1(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(OC(=O)CC)C#C)[C@]3([H])CC2)(OC(=O)CC)C#C

InChI

InChIKey=NOECSYBNZHIVHW-LKADTRSGSA-N
InChI=1S/C28H38O4/c1-7-23(29)31-27(9-3)17-19-11-12-20-21(25(19,5)18-27)13-15-26(6)22(20)14-16-28(26,10-4)32-24(30)8-2/h3-4,19-22H,7-8,11-18H2,1-2,5-6H3/t19-,20+,21-,22-,25-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38O4
Molecular Weight 438.5989
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6R25F2A061
Record Status Validated (UNII)
Record Version