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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H64O7
Molecular Weight 596.8785
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANNONACIN

SMILES

[H][C@@]1(CC[C@@]([H])(O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)[C@H](O)CCCCCCCCCCCC

InChI

InChIKey=XNODZYPOIPVPRF-CGWDHHCXSA-N
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H64O7
Molecular Weight 596.8785
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

PubMed

Substance Class Chemical
Record UNII
40372ET6TM
Record Status Validated (UNII)
Record Version