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Substance Name: L 687781
RN: 130304-58-4
InChIKey: YKYGJTLYLZXNDB-WUUUWWERSA-N

Note

  • Natural product that is a member of the papulacandin family; a 1,3-beta-glucan synthesis inhibitor; used in treatment of Pneumocystis carinii pneumonia.

Molecular Formula

  • C47-H66-O7

Molecular Weight

  • 903.0214
 
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Names and Synonyms

Name of Substance

  • L 687781

Synonym

  • L-687,781

Systematic Name

  • Hexopyranose, 1,6'-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4-decadienyl)hexopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-1-oxo-2,4,6,8,10-hexadecapentaenoate)

Registry Numbers

CAS Registry Number

  • 130304-58-4

System Generated Number

  • 0130304584

Structure Descriptors

InChI

1S/C47H66O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12,14-16,18,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,13,17,19-20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,21-15+,22-16+,29-18+

InChIKey

YKYGJTLYLZXNDB-WUUUWWERSA-N

Smiles

CCC(C)CC/C=C/C=C(\C)/C(C/C=C/C=C/C(=O)OC1C(C(OC2(C1O)c3c(cc(cc3O)O)CO2)CO)OC4C(C(C(C(O4)COC(=O)/C=C/C=C/CCC(CC)O)O)O)O)O