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Substance Name: Methyl okadaate
RN: 78111-14-5
InChIKey: BVEXVMARIREFTJ-TXMWGMRISA-N

Molecular Formula

  • C45-H70-O13

Molecular Weight

  • 819.035
 
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Names and Synonyms

Name of Substance

  • Methyl okadaate

Systematic Name

  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-, methyl ester

Registry Numbers

CAS Registry Number

  • 78111-14-5

System Generated Number

  • 0078111145

Structure Descriptors

InChI

1S/C45H70O13/c1-26-22-35(56-45(24-26)36(47)13-12-32(55-45)25-42(6,50)41(49)51-7)27(2)10-11-31-15-19-44(54-31)20-16-34-40(58-44)37(48)30(5)39(53-34)33(46)23-29(4)38-28(3)14-18-43(57-38)17-8-9-21-52-43/h10-11,24,27-29,31-40,46-48,50H,5,8-9,12-23,25H2,1-4,6-7H3/b11-10+/t27-,28-,29+,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43+,44-,45-/m1/s1

InChIKey

BVEXVMARIREFTJ-TXMWGMRISA-N

Smiles

O1[C@H](C[C@](C(OC)=O)(O)C)CC[C@H]([C@]21O[C@@H](CC(=C2)C)[C@@H](\C=C\[C@@H]1O[C@]2(CC1)CC[C@@H]1[C@@H](O2)[C@@H](C([C@H]([C@H](C[C@@H]([C@H]2O[C@]3(OCCCC3)CC[C@H]2C)C)O)O1)=C)O)C)O