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Details

Stereochemistry UNKNOWN
Molecular Formula C25H39NO5
Molecular Weight 433.5809
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPOCHALASIN K

SMILES

COC1C(O)CC\C(C)=C\[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)CC1O

InChI

InChIKey=VDFBOYQHOXIVOC-ZVMWUMDVSA-N
InChI=1S/C25H39NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-8-19(27)23(31-6)20(28)12-21(29)25(17,22)24(30)26-18/h10-11,13,16-20,22-23,27-28H,7-9,12H2,1-6H3,(H,26,30)/b14-10+/t16-,17+,18+,19?,20?,22+,23?,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H39NO5
Molecular Weight 433.5809
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
SHJ7WV7E5G
Record Status Validated (UNII)
Record Version