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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H56O4
Molecular Weight 588.8595
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of STIGMASTERYL FERULATE

SMILES

CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\C5=CC(OC)=C(O)C=C5)C(C)C

InChI

InChIKey=NMWHNQAIHFWROQ-ZJNYQSGUSA-N
InChI=1S/C39H56O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h9-13,17-18,23,25-26,28,30-34,40H,8,14-16,19-22,24H2,1-7H3/b12-9+,18-11+/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H56O4
Molecular Weight 588.8595
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2560PXB85N
Record Status Validated (UNII)
Record Version