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Details

Stereochemistry UNKNOWN
Molecular Formula C75H114O26S
Molecular Weight 1463.757
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 30
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of A-77951

SMILES

CSC1=CC(=O)C2=CC(\C=C(/C)C(O)C(C)C(=O)OC3CCC(OC4CCC(OC(C)C(C)C(O)C(C)C(O)C(C)C5OC(=O)\C=C\CC(O)CC(O)C=CCCC(C)C(O)CC6(O)OC(CC(O)C6O)CC(CC(O)CC(O)CC(O)C7OC7C5C)OC(C)=O)OC4C)OC3C)=CC=C2C1=O

InChI

InChIKey=JUHYVNOJSBSVKS-UZCRVOTASA-N
InChI=1S/C75H114O26S/c1-36-16-13-14-17-48(77)28-49(78)18-15-19-63(85)99-70(42(7)71-72(100-71)57(82)31-51(80)29-50(79)30-52(96-46(11)76)32-53-33-58(83)73(90)75(92,101-53)35-59(36)84)40(5)68(88)39(4)67(87)38(3)43(8)93-64-24-22-60(44(9)94-64)97-65-25-23-61(45(10)95-65)98-74(91)41(6)66(86)37(2)26-47-20-21-54-55(27-47)56(81)34-62(102-12)69(54)89/h14-15,17,19-21,26-27,34,36,38-45,48-53,57-61,64-68,70-73,77-80,82-84,86-88,90,92H,13,16,18,22-25,28-33,35H2,1-12H3/b17-14-,19-15+,37-26+

HIDE SMILES / InChI

Molecular Formula C75H114O26S
Molecular Weight 1463.757
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 30
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:13 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:13 GMT 2023
Record UNII
90K5YL5KPV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-77951
Common Name English
Code System Code Type Description
CAS
271788-03-5
Created by admin on Sat Dec 16 10:04:13 GMT 2023 , Edited by admin on Sat Dec 16 10:04:13 GMT 2023
PRIMARY
PUBCHEM
72941790
Created by admin on Sat Dec 16 10:04:13 GMT 2023 , Edited by admin on Sat Dec 16 10:04:13 GMT 2023
PRIMARY
FDA UNII
90K5YL5KPV
Created by admin on Sat Dec 16 10:04:13 GMT 2023 , Edited by admin on Sat Dec 16 10:04:13 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY