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Substance Name: Didemnaketal A
RN: 135257-49-7
InChIKey: MDOBHPCVWZRBNM-RWPZCVJISA-N

Note

  • From the magenta ascidian Didemnum sp.

Molecular Formula

  • C44-H72-O14

Molecular Weight

  • 825.039
 
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Names and Synonyms

Results Name

  • Didemnaketal A

Synonym

  • Didemnaketal A

Systematic Name

  • 2-Undecenoic acid, 7-(acetyloxy)-11-(8-(1-hydroxy-2-oxopropyl)-4,10-dimethyl-1,7-dioxaspiro(5.5)undec-2-yl)-2,6,10-trimethyl-8,11-bis(3-methyl-1-oxobutoxy)-5-(1-oxopropoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 135257-49-7

System Generated Number

  • 0135257497

Structure Descriptors

InChI

1S/C44H72O14/c1-14-37(47)54-33(16-15-28(8)43(51)52-13)30(10)42(53-32(12)46)35(55-38(48)17-24(2)3)21-29(9)41(56-39(49)18-25(4)5)36-20-27(7)23-44(58-36)22-26(6)19-34(57-44)40(50)31(11)45/h15,24-27,29-30,33-36,40-42,50H,14,16-23H2,1-13H3/b28-15+

InChIKey

MDOBHPCVWZRBNM-RWPZCVJISA-N

Smiles

C(\C(=C\C[C@@H]([C@@H]([C@@H]([C@@H](C[C@@H]([C@@H](OC(CC(C)C)=O)[C@@H]1O[C@@]2(C[C@@H](C1)C)O[C@@H](C[C@@H](C2)C)[C@@H](C(C)=O)O)C)OC(CC(C)C)=O)OC(=O)C)C)OC(CC)=O)C)(=O)OC