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Substance Name: Prorocentrolide
RN: 117120-34-0
InChIKey: XZXZSKRRHGFIQS-YFHRIDBKSA-N

Molecular Formula

  • C56-H85-N-O13

Molecular Weight

  • 980.281
 
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Names and Synonyms

Results Name

  • Prorocentrolide

Synonym

  • Prorocentrolide

Systematic Name

  • 9,13:20,23:31,35-Triepoxy-4,7-methano-5,27-(1)penteno-25H-oxacyclodotetracontino(20,21-b)pyridin-25-one, 2,3,4,4a,5,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,27,30,31,32,33,34,35,36,37,38,43,44-tetratriacontahydro-11,12,19,21,30,33,34,38-octahydroxy-4a,29,41,47,50-pentamethyl-17-methylene-

Registry Numbers

CAS Registry Number

  • 117120-34-0

System Generated Number

  • 0117120340

Structure Descriptors

InChI

1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+

InChIKey

XZXZSKRRHGFIQS-YFHRIDBKSA-N

Smiles

C1[C@@H]2O[C@@H]([C@@H](C2)O)[C@@H](O)CC(CCC[C@@H]2O[C@@H](CC3=C[C@@H]4C(=CC[C@@H](C[C@@H](OC1=O)C=C([C@@H]([C@@H]1C[C@@H]([C@@H]([C@@H](O1)CC[C@@H](C=CC(=CCCC=1[C@@]4(C)[C@@H](CCN1)C3)C)O)O)O)O)C)C)C)C[C@@H]([C@@H]2O)O)=C