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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28O4
Molecular Weight 320.4232
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONACOLIN J

SMILES

[H][C@]12[C@@H](O)C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3

InChI

InChIKey=ZDFOBOYQVYMVCW-IRUSZSJRSA-N
InChI=1S/C19H28O4/c1-11-7-13-4-3-12(2)16(19(13)17(21)8-11)6-5-15-9-14(20)10-18(22)23-15/h3-4,7,11-12,14-17,19-21H,5-6,8-10H2,1-2H3/t11-,12-,14+,15+,16-,17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H28O4
Molecular Weight 320.4232
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P5IQ0SI56N
Record Status Validated (UNII)
Record Version