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Substance Name: Okadaic acid tetramethyl ether
RN: 120693-42-7
InChIKey: BLXGHOVFYZQLJM-UHFFFAOYSA-N

Molecular Weight

  • 861.115
 
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Names and Synonyms

  • Okadaic acid tetramethyl ether

Registry Numbers

CAS Registry Number

  • 120693-42-7

System Generated Number

  • 0120693427

Structure Descriptors

InChI

1S/C48H76O13/c1-29-25-37(59-48(27-29)39(52-8)16-15-35(58-48)28-45(6,54-10)44(49)50)30(2)13-14-34-18-22-47(57-34)23-19-36-43(61-47)42(53-9)33(5)41(56-36)38(51-7)26-32(4)40-31(3)17-21-46(60-40)20-11-12-24-55-46/h13-14,27,30-32,34-43H,5,11-12,15-26,28H2,1-4,6-10H3,(H,49,50)

InChIKey

BLXGHOVFYZQLJM-UHFFFAOYSA-N

Smiles

C1C[C@@H](O[C@@]21O[C@@H]1[C@@H](CC2)O[C@@H](C([C@@H]1OC)=C)[C@@H](C[C@@H]([C@@H]1[C@@H](CC[C@@]2(O1)OCCCC2)C)C)OC)\C=C/[C@@H]([C@@H]1O[C@@]2(C=C(C1)C)O[C@@H](CC[C@@H]2OC)C[C@@](C(O)=O)(OC)C)C