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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38O8
Molecular Weight 514.6072
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RORIDIN E

SMILES

[H][C@]12O[C@@H]3C[C@H]4OC(=O)C=C\C=C\[C@@]([H])(OCC\C(C)=C\C(=O)OC[C@@]1(CCC(C)=C2)[C@]4(C)[C@]35CO5)[C@@H](C)O

InChI

InChIKey=KEEQQEKLEZRLDS-FLGSVKSYSA-N
InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed