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Substance Name: Longestin
RN: 131774-53-3
InChIKey: DBIAGVXGCNWASW-UHFFFAOYSA-N

Note

  • Trypanocidal agent; isolated from Steptomyces argenteolus; inhibits brain calcium- and calmodulin-dependent cyclic nucleotide phosphodiesterase.

Molecular Formula

  • C61-H88-O17

Molecular Weight

  • 1093.3492
 
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Names and Synonyms

Name of Substance

  • Longestin

Synonym

  • KS-505a

Systematic Names

  • beta-D-Glucopyranosiduronic acid, 1-carboxy-2,3,4,4a,4b,5,6,6a,6b,7,8,8a,8b,9,10,10a,14,16,17,17a,17b,18,19,19a,19b,20,21,21a,21b,22,23,23a-dotriacontahydro-14-hydroxy-8a,10a-bis(hydroxymethyl)-14-(3-methoxy-3-oxopropyl)-1,4,4a,6,6a,17b,19b,21b-octameth
  • beta-D-Glucopyranosiduronic acid, 1-carboxy-2,3,4,4a,4b,5,6,6a,6b,7,8,8a,8b,9,10,10a,14,16,17,17a,17b,18,19,19a,19b,20,21,21a,21b,22,23,23a-dotriacontahydro-14-hydroxy-8a,10a-bis(hydroxymethyl)-14-(3-methoxy-3-oxopropyl)-1,4,4a,6,6a,17b,19b,21b-octamethyl-16-oxo-1H-benzo(9,10)piceno(3,4-a)furo(3,4-j)xanthen-2-yl 2-O-methyl

Registry Numbers

CAS Registry Number

  • 131774-53-3

System Generated Number

  • 0131774533

Structure Descriptors

InChI

1S/C61H88O17/c1-30-25-40-54(4,21-15-39-57(40,7)31(2)26-42(58(39,8)52(70)71)75-51-48(74-10)46(66)45(65)47(76-51)49(67)68)35-13-19-53(3)36(56(30,35)6)16-22-59(28-62)37(53)14-20-55(5)38(59)17-23-60(29-63)41(55)27-32-34(77-60)12-11-33-44(32)50(69)78-61(33,72)24-18-43(64)73-9/h11-12,30-31,35-42,45-48,51,62-63,65-66,72H,13-29H2,1-10H3,(H,67,68)(H,70,71)

InChIKey

DBIAGVXGCNWASW-UHFFFAOYSA-N

Smiles

CC1CC2C(CCC3C2(C(CC(C3(C)C(=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)OC)C)C)(C5C1(C6CCC7(C(C6(CC5)C)CCC8(C7CCC9(C8Cc1c(ccc2c1C(=O)OC2(CCC(=O)OC)O)O9)CO)C)CO)C)C