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Details

Stereochemistry EPIMERIC
Molecular Formula C30H47NO5S
Molecular Weight 533.763
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3AR,4R,5R,7S,8S,9R,9AS,12R)-8-HYDROXY-4,7,9,12-TETRAMETHYL-3-OXO-7-VINYLDECAHYDRO-4,9A-PROPANOCYCLOPENTA(8)ANNULEN-5-YL 2-((R)-((1R,3S,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL)SULFINYL)ACETATE

SMILES

C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)C[S+]([O-])[C@H]4C[C@@H]5CC[C@H](C4)N5C

InChI

InChIKey=VUCWTDYHEXKWCG-BRDGNDOTSA-N
InChI=1S/C30H47NO5S/c1-7-28(4)16-24(36-25(33)17-37(35)22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22-,24-,26+,27+,28-,29+,30+,37?/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H47NO5S
Molecular Weight 533.763
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:26:42 GMT 2025
Edited
by admin
on Wed Apr 02 00:26:42 GMT 2025
Record UNII
A83V5VJ3DF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3AR,4R,5R,7S,8S,9R,9AS,12R)-8-HYDROXY-4,7,9,12-TETRAMETHYL-3-OXO-7-VINYLDECAHYDRO-4,9A-PROPANOCYCLOPENTA(8)ANNULEN-5-YL 2-((R)-((1R,3S,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL)SULFINYL)ACETATE
Systematic Name English
RETAPAMULIN METABOLITE M6
Preferred Name English
Code System Code Type Description
FDA UNII
A83V5VJ3DF
Created by admin on Wed Apr 02 00:26:42 GMT 2025 , Edited by admin on Wed Apr 02 00:26:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE