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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H55NO7
Molecular Weight 637.8458
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Avenestergenin A 1

SMILES

CNC1=CC=CC=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](O)C[C@]4(C)[C@@H]([C@@H]3C[C@@]2(C)C=O)C(=O)C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]45C

InChI

InChIKey=DESUBBPDSFNHTF-LRPINCQGSA-N
InChI=1S/C38H55NO7/c1-33(20-40)17-23-31-25(42)16-27-34(2)14-13-28(43)36(4,21-41)26(34)12-15-37(27,5)38(31,6)18-29(44)35(23,3)19-30(33)46-32(45)22-10-8-9-11-24(22)39-7/h8-11,20,23,26-31,39,41,43-44H,12-19,21H2,1-7H3/t23-,26+,27+,28-,29-,30-,31-,33-,34-,35-,36-,37+,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H55NO7
Molecular Weight 637.8458
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
APL6DB2ZET
Record Status Validated (UNII)
Record Version