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Details

Stereochemistry UNKNOWN
Molecular Formula C55H87NO18
Molecular Weight 1050.2752
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 19
E/Z Centers 0
Charge 0
Stereo Comments SUBSTITUTION FROM ACYCLIC KETONE UNKNOWN REPERESENTATIVE STRUCTURE DRAWN

SHOW SMILES / InChI
Structure of PERIMYCIN B

SMILES

[H][C@@]3(O[C@@H]1CC2O[C@@](O)(C[C@H](O)[C@H]2O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)C[C@@H](O)CC(=O)O[C@H](C(C)CCC(O)CC(=O)CC(C)C)[C@@H](C)\C=C\C=C\C=CC=C\C=C\C=C\C=C\1)O[C@H](C)[C@@H](N)[C@H](O)[C@@H]3O

InChI

InChIKey=BRJGRGYZAHHWMC-MEKHEGQDSA-N
InChI=1S/C55H87NO18/c1-33(2)22-38(58)23-37(57)21-20-35(4)53-34(3)18-16-14-12-10-8-6-7-9-11-13-15-17-19-45(72-54-52(69)51(68)49(56)36(5)71-54)30-47-50(67)46(65)32-55(70,74-47)31-44(64)28-42(62)26-40(60)24-39(59)25-41(61)27-43(63)29-48(66)73-53/h6-19,33-37,39-40,42-47,49-54,57,59-60,62-65,67-70H,20-32,56H2,1-5H3/b7-6-,10-8-,11-9+,14-12+,15-13+,18-16+,19-17+/t34-,35?,36+,37?,39+,40-,42-,43+,44-,45-,46-,47?,49+,50+,51-,52-,53-,54-,55?/m0/s1

HIDE SMILES / InChI

Molecular Formula C55H87NO18
Molecular Weight 1050.2752
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 16 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
88E4F5320N
Record Status Validated (UNII)
Record Version