(Q27159971)

Ketocytochalasin (English)

(1R,3Z,5S,7S,9Z,11S,14S,15R,16S)-16-benzyl-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,6,18-trione

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₃NO₃

1 reference

Ketocytochalasin (English)

9 October 2016

canonical SMILES

CC1CC=CC2C=C(C(C3C2(C(=O)C=CC(C1=O)C)C(=O)NC3CC4=CC=CC=C4)C)C

1 reference

Ketocytochalasin (English)

9 October 2016

isomeric SMILES

C[C@H]1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)/C=C/[C@@H](C1=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)C

1 reference

Ketocytochalasin (English)

InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,28+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Ketocytochalasin (English)

MZRDRLOYHFZNCS-IZVHRENNSA-N

9 October 2016

InChIKey

2 references

Ketocytochalasin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Ketocytochalasin (English)

9 October 2016

2 references

Ketocytochalasin (English)

matched by identifier from

9 October 2016

InChIKey

MZRDRLOYHFZNCS-IZVHRENNSA-N

Reaxys registry number

27722608

1 reference

ketocytochalasin (English)

9 October 2016

ChEBI ID

87837

mapping relation type

2 references

ketocytochalasin (English)