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Substance Name: Swinholide C
RN: 132923-51-4
InChIKey: KHVNUSQFQXCPIZ-KFHUQJTASA-N

Note

  • From Okinawan marine sponge Theonella swinhoei.

Molecular Formula

  • C77-H130-O20

Molecular Weight

  • 1375.854
 
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Names and Synonyms

Name of Substance

  • Swinholide C

Systematic Name

  • Swinholide A, 29-O-demethyl-

Registry Numbers

CAS Registry Number

  • 132923-51-4

System Generated Number

  • 0132923514

Structure Descriptors

InChI

1S/C77H130O20/c1-44-22-28-56(78)36-59-19-17-21-62(95-59)41-71(91-15)51(8)67(82)43-69(84)53(10)77(55(12)75(88)47(4)27-31-64-39-65(89-13)35-49(6)93-64)97-73(86)33-25-45(2)23-29-57(79)37-60-18-16-20-61(94-60)40-70(90-14)50(7)66(81)42-68(83)52(9)76(96-72(85)32-24-44)54(11)74(87)46(3)26-30-63-38-58(80)34-48(5)92-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/b32-24-,33-25-,44-22-,45-23-

InChIKey

KHVNUSQFQXCPIZ-KFHUQJTASA-N

Smiles

CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C(C(CC3CC=CC(O3)CC(C/C=C(\C=C/C(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(C/C=C(/C=C\C(=O)O2)\C)O)OC)C)O)O)C)C(C)C(C(C)CCC5CC(CC(O5)C)OC)O)/C)O)OC)C)O)O)C)O)O