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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO8
Molecular Weight 439.4993
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARSONSINE

SMILES

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

InChI

InChIKey=MPPSDVYCCOJJIB-QCNRXRGQSA-N
InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14-,16-,18-,21+,22+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PARSONSINE
Common Name English
7H-(1,5,10)TRIOXACYCLOTETRADECINO(7,8,9-GH)PYRROLIZINE-2,5,9(8H)-TRIONE, 3,4,11,13,15,16,16A,16B-OCTAHYDRO-3,8-DIHYDROXY-7-METHYL-3,8-BIS(1-METHYLETHYL)-, (3S,7R,8S,16AR,16BR)-
Systematic Name English
(3S-(3R*,7S*,8R*,16AS*,16BS*))-3,4,11,13,15,16,16A,16B-OCTAHYDRO-3,8-DIHYDROXY-7-METHYL-3,8-BIS(1-METHYLETHYL)-7H-(1,5,10)TRIOXACYCLOTETRADECINO(7,8,9-GH)PYRROLIZINE-2,5,9(8H)-TRIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
15060933
Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID10222539
Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023
PRIMARY
FDA UNII
249CZA0134
Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023
PRIMARY
CAS
72213-98-0
Created by admin on Sat Dec 16 11:25:07 GMT 2023 , Edited by admin on Sat Dec 16 11:25:07 GMT 2023
PRIMARY