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Substance Name: 7-O-Palmitoylokadaic acid
RN: 118745-19-0
InChIKey: YEJWINKXQQBOSZ-BJFIKSANSA-N

Molecular Formula

  • C60-H98-O14

Molecular Weight

  • 1043.42
 
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Names and Synonyms

Results Name

  • 7-O-Palmitoylokadaic acid

Synonyms

  • 7-O-Palmitoylokadaic acid
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-, 7-hexadecanoate

Systematic Name

  • 1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, alpha-hydroxy-alpha,10-dimethyl-8-((1R,2E)-1-methyl-3-((2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undec-2-yl)butyl)-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-2-propenyl)-5-((1-oxohexadecyl)oxy)-

Registry Numbers

CAS Registry Number

  • 118745-19-0

Other Registry Number

  • 913609-50-4

System Generated Number

  • 0118745190

Structure Descriptors

InChI

1S/C60H98O14/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23-51(62)69-50-27-26-46(39-57(7,66)56(64)65)71-60(50)38-40(2)36-49(72-60)41(3)24-25-45-29-33-59(70-45)34-30-48-55(74-59)52(63)44(6)54(68-48)47(61)37-43(5)53-42(4)28-32-58(73-53)31-21-22-35-67-58/h24-25,38,41-43,45-50,52-55,61,63,66H,6,8-23,26-37,39H2,1-5,7H3,(H,64,65)/b25-24+/t41-,42-,43+,45+,46+,47+,48-,49+,50-,52-,53+,54+,55-,57-,58+,59+,60-/m1/s1

InChIKey

YEJWINKXQQBOSZ-BJFIKSANSA-N

Smiles

O1[C@@]2(C=C(C[C@H]([C@@H](\C=C\[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6O[C@@]7(CC[C@H]6C)OCCCC7)C([C@H](O)[C@H]5O4)=C)O3)C)O2)C)[C@@H](CC[C@H]1C[C@](C(O)=O)(O)C)OC(=O)CCCCCCCCCCCCCCC