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Substance Name: A-77951
RN: 271788-03-5
UNII: 90K5YL5KPV
InChIKey: JUHYVNOJSBSVKS-UZCRVOTASA-N

Molecular Formula

  • C75-H114-O26-S

Molecular Weight

  • 1463.7656
 
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Names and Synonyms

Name of Substance

  • A-77951

Synonyms

  • A-77951
  • UNII-90K5YL5KPV

Registry Numbers

CAS Registry Number

  • 271788-03-5

FDA UNII

  • 90K5YL5KPV

System Generated Number

  • 0271788035

Structure Descriptors

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+

InChIKey

JUHYVNOJSBSVKS-UZCRVOTASA-N

Smiles

CC1CC/C=C\C(CC(C/C=C/C(=O)OC(C(C2C(O2)C(CC(CC(CC(CC3CC(C(C(O3)(CC1O)O)O)O)OC(=O)C)O)O)O)C)C(C)C(C(C)C(C(C)C(C)OC4CCC(C(O4)C)OC5CCC(C(O5)C)OC(=O)C(C)C(/C(=C/c6ccc7c(c6)C(=O)C=C(C7=O)SC)/C)O)O)O)O)O