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Substance Name: Mycalolide B
RN: 122752-21-0
InChIKey: ZYDMLFOHENLMIN-RKRPCCGKSA-N

Note

  • Isolated from the marine sponge Mycale.

Molecular Formula

  • C52-H74-N4-O17

Molecular Weight

  • 1027.17
 
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Names and Synonyms

Name of Substance

  • Mycalolide B

Synonym

  • Mycalolide-B

Systematic Name

  • Kabiramide C, 4-O-acetyl-21-O-de(aminocarbonyl)-23,24-didehydro-23-demethyl-4-O-demethyl-6-deoxo-25-deoxy-6-(2,3-dimethoxy-1-oxopropoxy)-25-oxo-

Registry Numbers

CAS Registry Number

  • 122752-21-0

System Generated Number

  • 0122752210

Structure Descriptors

InChI

1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3/b16-13+,18-14-,22-21+/t30-,31+,32-,33+,34-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1

InChIKey

ZYDMLFOHENLMIN-RKRPCCGKSA-N

Smiles

O([C@@H]1c2coc(n2)c2coc(c3coc(n3)C=CC[C@@H]([C@H]([C@@H](OC(=O)C[C@H](CC=CC(=O)[C@@H]1C)O)C[C@@H]([C@@H](C)CC[C@H]([C@@H]([C@@H]([C@@H](\C=C\N(C=O)C)C)OC(C)=O)C)OC(=O)[C@@H](COC)OC)OC)C)OC)n2)C