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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H41NO3
Molecular Weight 439.63
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Methyljervine

SMILES

C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C)O[C@]13CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C(=O)C4=C3C

InChI

InChIKey=RKMIVAVNVAGZNT-AROXZRCDSA-N
InChI=1S/C28H41NO3/c1-15-12-22-25(29(5)14-15)17(3)28(32-22)11-9-20-21-7-6-18-13-19(30)8-10-27(18,4)24(21)26(31)23(20)16(28)2/h6,15,17,19-22,24-25,30H,7-14H2,1-5H3/t15-,17+,19-,20-,21-,22+,24+,25-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H41NO3
Molecular Weight 439.63
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VZ2YBG7Q5N
Record Status Validated (UNII)
Record Version