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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H41NO4
Molecular Weight 467.6401
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-ACETYLJERVINE

SMILES

[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C(=O)[C@@]5([H])[C@@]4([H])CC=C6C[C@H](CC[C@]56C)OC(C)=O)=C3C)O2

InChI

InChIKey=UQVIFHXKIPQADQ-CXKDDGKJSA-N
InChI=1S/C29H41NO4/c1-15-12-23-26(30-14-15)17(3)29(34-23)11-9-21-22-7-6-19-13-20(33-18(4)31)8-10-28(19,5)25(22)27(32)24(21)16(29)2/h6,15,17,20-23,25-26,30H,7-14H2,1-5H3/t15-,17+,20-,21-,22-,23+,25+,26-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H41NO4
Molecular Weight 467.6401
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
MKV40NV1SG
Record Status Validated (UNII)
Record Version