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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H49NO7
Molecular Weight 535.7126
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-DIMETHYLETHYL N-((1S,3S)-3-((4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL)METHYL)-4-METHYL-1-((2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL)PENTYL)CARBAMATE

SMILES

[H][C@]1(C[C@@H](C(C)C)C(=O)O1)[C@H](C[C@H](CC2=CC(OCCCOC)=C(OC)C=C2)C(C)C)NC(=O)OC(C)(C)C

InChI

InChIKey=CYUJPKOZIGBPOO-IGRGDXOOSA-N
InChI=1S/C30H49NO7/c1-19(2)22(15-21-11-12-25(35-9)27(16-21)36-14-10-13-34-8)17-24(31-29(33)38-30(5,6)7)26-18-23(20(3)4)28(32)37-26/h11-12,16,19-20,22-24,26H,10,13-15,17-18H2,1-9H3,(H,31,33)/t22-,23-,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H49NO7
Molecular Weight 535.7126
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:23:44 UTC 2023
Edited
by admin
on Thu Jul 06 16:23:44 UTC 2023
Record UNII
S79DP4SNC5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-DIMETHYLETHYL N-((1S,3S)-3-((4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL)METHYL)-4-METHYL-1-((2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL)PENTYL)CARBAMATE
Systematic Name English
CARBAMIC ACID, N-((1S,3S)-3-((4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL)METHYL)-4-METHYL-1-((2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL)PENTYL)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60469997
Created by admin on Thu Jul 06 16:23:44 UTC 2023 , Edited by admin on Thu Jul 06 16:23:44 UTC 2023
PRIMARY
CAS
866030-35-5
Created by admin on Thu Jul 06 16:23:44 UTC 2023 , Edited by admin on Thu Jul 06 16:23:44 UTC 2023
PRIMARY
PUBCHEM
11649505
Created by admin on Thu Jul 06 16:23:44 UTC 2023 , Edited by admin on Thu Jul 06 16:23:44 UTC 2023
PRIMARY
FDA UNII
S79DP4SNC5
Created by admin on Thu Jul 06 16:23:44 UTC 2023 , Edited by admin on Thu Jul 06 16:23:44 UTC 2023
PRIMARY
Related Record Type Details
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