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Substance Name: Petasitolide A
RN: 70773-67-0
InChIKey: XXBKFKJZAXTGFB-HJLGNYBPSA-N

Molecular Formula

  • C20-H28-O4

Molecular Weight

  • 332.4372
 
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Names and Synonyms

Results Name

  • Petasitolide A

Synonyms

  • 3beta-Angeloyloxy-8-epi-eremophilenolide
  • Petasitolide A

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-2-oxonaphtho(2,3-b)furan-6-yl ester, (4aS-(4aalpha,5alpha,6alpha(Z),8aalpha,9abeta))-

Registry Numbers

CAS Registry Number

  • 70773-67-0

Other Registry Number

  • 73209-21-9

System Generated Number

  • 0070773670

Structure Descriptors

InChI

1S/C20H28O4/c1-6-11(2)18(21)23-16-8-7-14-9-17-15(12(3)19(22)24-17)10-20(14,5)13(16)4/h6,13-14,16-17H,7-10H2,1-5H3/b11-6+/t13-,14+,16-,17+,20+/m0/s1

InChIKey

XXBKFKJZAXTGFB-HJLGNYBPSA-N

Smiles

C\C=C(/C)\C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(=C3C[C@]2(C)[C@H]1C)C