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Substance Name: Bisbrusatolyl adipate
RN: 81612-58-0
InChIKey: MWKUTSCJQHCYRY-UHFFFAOYSA-N

Molecular Formula

  • C58-H70-O24

Molecular Weight

  • 1151.17
 
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Names and Synonyms

Results Name

  • Bisbrusatolyl adipate

Synonym

  • Bisbrusatolyl adipate

Systematic Name

  • Picras-3-en-21-oic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)bis(oxy))bis(13,20-epoxy-11,12-dihydroxy-16-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, dimethyl ester, (11beta,12alpha,15beta)-(11'beta,12'alpha,15'beta)-

Registry Numbers

CAS Registry Number

  • 81612-58-0

System Generated Number

  • 0081612580

Structure Descriptors

InChI

1S/C58H70O24/c1-23(2)15-35(63)81-41-45-55-21-75-57(45,51(71)73-9)47(67)37(65)43(55)53(7)19-29(59)39(25(5)27(53)17-31(55)77-49(41)69)79-33(61)13-11-12-14-34(62)80-40-26(6)28-18-32-56-22-76-58(52(72)74-10,48(68)38(66)44(56)54(28,8)20-30(40)60)46(56)42(50(70)78-32)82-36(64)16-24(3)4/h15-16,27-28,31-32,37-38,41-48,65-68H,11-14,17-22H2,1-10H3

InChIKey

MWKUTSCJQHCYRY-UHFFFAOYSA-N

Smiles

O(C=1C(C[C@@]2(C)[C@@H](C1C)C[C@@H]1[C@@]34[C@@H]([C@@H](C(O1)=O)OC(\C=C(\C)C)=O)[C@@]([C@@H]([C@@H]([C@@H]23)O)O)(OC4)C(OC)=O)=O)C(CCCCC(OC1=C(C)[C@@H]2C[C@@H]3[C@@]45[C@@H]([C@@H]([C@@H]([C@@]([C@@H]5[C@@H](OC(\C=C(\C)C)=O)C(=O)O3)(OC4)C(OC)=O)O)O)[C@@]2(C)CC1=O)=O)=O