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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O8
Molecular Weight 534.6814
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESACETYLOLEANDRIN

SMILES

[H][C@@]1(C[C@H](OC)[C@@H](O)[C@H](C)O1)O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2

InChI

InChIKey=ROKXRURUBUVHBD-QSHOECCGSA-N
InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-20(28)8-10-29(3)26(17-11-24(32)36-15-17)22(31)14-30(21,29)34/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20-,21+,22-,23-,25-,26-,27-,28-,29+,30-/m0/s1

HIDE SMILES / InChI

Approval Year