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Substance Name: Patellazole B
RN: 117527-06-7
InChIKey: YAVOPZRQLVNNOF-AMRVAAAQSA-N

Molecular Formula

  • C49-H77-N-O12-S

Molecular Weight

  • 904.208
 
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Names and Synonyms

Results Name

  • Patellazole B

Synonym

  • Patellazole B

Registry Numbers

CAS Registry Number

  • 117527-06-7

System Generated Number

  • 0117527067

Structure Descriptors

InChI

1S/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3/b17-15+,20-16+,28-25-,31-19-

InChIKey

YAVOPZRQLVNNOF-AMRVAAAQSA-N

Smiles

C([C@@H]([C@@H](C)O)C)(=O)O[C@@]1(C(O[C@@H]([C@@H](C=CC=C([C@@H]([C@@H]([C@@H]([C@@H](CC=C[C@@H](C([C@@H]([C@@H](C[C@@H](CC1)C)O)C)=O)C)C)O)O)OC)C)C)[C@@](\C=C(/Cc1nc(sc1)[C@@]1(O[C@@H]1C)C)C)(C)O)=O)C