U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N3O5
Molecular Weight 479.568
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUMITREMORGIN B

SMILES

[H][C@@]12CCCN1C(=O)[C@]3(O)[C@@H](O)C4=C([C@H](C=C(C)C)N3C2=O)N(CC=C(C)C)C5=CC(OC)=CC=C45

InChI

InChIKey=WEIYXEFMCIRZHC-MWGWWEMPSA-N
InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H33N3O5
Molecular Weight 479.568
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
ITN5B384F8
Record Status Validated (UNII)
Record Version