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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO9
Molecular Weight 455.4987
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIRALINE

SMILES

[H][C@]12CCN3CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC(=O)[C@H](O)[C@](O)(C(C)C)C(=O)O1)[C@]23[H]

InChI

InChIKey=SHUMEODPCRJUBC-JLWRCLLRSA-N
InChI=1S/C22H33NO9/c1-11(2)21(28)13(5)31-18(25)17(24)22(29,12(3)4)20(27)32-15-7-9-23-8-6-14(16(15)23)10-30-19(21)26/h6,11-13,15-17,24,28-29H,7-10H2,1-5H3/t13-,15-,16-,17+,21+,22-/m1/s1

HIDE SMILES / InChI

Approval Year