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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H62F2O13
Molecular Weight 1029.1233
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NM-135

SMILES

[H][C@@]12C[C@@H](C)[C@H](C(=O)CO[C@@H]3O[C@H](COC(=O)C4=CC=C(C)C=C4)[C@@H](OC(=O)C5=CC=C(C)C=C5)[C@H](OC(=O)C6=CC=C(C)C=C6)[C@H]3OC(=O)C7=CC=C(C)C=C7)[C@@]1(C)C[C@H](O)[C@@]8(F)[C@@]2([H])C[C@H](F)C9=CC(=O)C=C[C@]89C

InChI

InChIKey=BVEAZFTXNPWHMR-QBKHVOGRSA-N
InChI=1S/C60H62F2O13/c1-32-8-16-37(17-9-32)53(66)70-31-47-50(73-54(67)38-18-10-33(2)11-19-38)51(74-55(68)39-20-12-34(3)13-21-39)52(75-56(69)40-22-14-35(4)15-23-40)57(72-47)71-30-46(64)49-36(5)26-42-43-28-45(61)44-27-41(63)24-25-59(44,7)60(43,62)48(65)29-58(42,49)6/h8-25,27,36,42-43,45,47-52,57,65H,26,28-31H2,1-7H3/t36-,42+,43+,45+,47-,48+,49-,50-,51+,52-,57-,58+,59+,60+/m1/s1

HIDE SMILES / InChI

Molecular Formula C60H62F2O13
Molecular Weight 1029.1233
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:51:24 GMT 2023
Edited
by admin
on Sat Dec 16 09:51:24 GMT 2023
Record UNII
8J7YB799VR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NM-135
Code English
NM135
Code English
PREGNA-1,4-DIENE-3,20-DIONE, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-21-((2,3,4,6-TETRAKIS-O-(4-METHYLBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
169453-84-3
Created by admin on Sat Dec 16 09:51:24 GMT 2023 , Edited by admin on Sat Dec 16 09:51:24 GMT 2023
PRIMARY
FDA UNII
8J7YB799VR
Created by admin on Sat Dec 16 09:51:24 GMT 2023 , Edited by admin on Sat Dec 16 09:51:24 GMT 2023
PRIMARY
PUBCHEM
9963271
Created by admin on Sat Dec 16 09:51:24 GMT 2023 , Edited by admin on Sat Dec 16 09:51:24 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY