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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56O13.2H2O
Molecular Weight 732.8526
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERIPLOCIN DIHYDRATE

SMILES

O.O.[H][C@@]1(C[C@H](OC)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1)O[C@H]3CC[C@]4(C)[C@@]5([H])CC[C@]6(C)[C@H](CC[C@]6(O)[C@]5([H])CC[C@]4(O)C3)C7=CC(=O)OC7

InChI

InChIKey=RPHSJGGDDBGGDS-MQYWENBJSA-N
InChI=1S/C36H56O13.2H2O/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20;;/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3;2*1H2/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PERIPLOCIN DIHYDRATE
MI  
Common Name English
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-, DIHYDRATE, (3.BETA.,5.BETA.)-
Systematic Name English
PERIPLOCIN DIHYDRATE [MI]
Common Name English
Code System Code Type Description
CAS
11018-76-1
Created by admin on Sat Dec 16 09:16:26 UTC 2023 , Edited by admin on Sat Dec 16 09:16:26 UTC 2023
PRIMARY
PUBCHEM
90478348
Created by admin on Sat Dec 16 09:16:26 UTC 2023 , Edited by admin on Sat Dec 16 09:16:26 UTC 2023
PRIMARY
MERCK INDEX
m8559
Created by admin on Sat Dec 16 09:16:26 UTC 2023 , Edited by admin on Sat Dec 16 09:16:26 UTC 2023
PRIMARY Merck Index
FDA UNII
G8KEW6243X
Created by admin on Sat Dec 16 09:16:26 UTC 2023 , Edited by admin on Sat Dec 16 09:16:26 UTC 2023
PRIMARY