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Substance Name: Brianolide
RN: 131400-39-0
InChIKey: PGRWMZUTBYCJHO-UHFFFAOYSA-N

Molecular Formula

  • C24-H31-Cl-O10

Molecular Weight

  • 514.9519
 
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Names and Synonyms

Name of Substance

  • Brianolide

Systematic Name

  • Oxireno(7,8)oxireno(3',4')benzo(1',2':4,5)cyclodeca(1,2-b)furan-2(3H)-one, 4,6-bis(acetyloxy)-11-chlorotetradecahydro-3a,8-dihydroxy-3,5,7b-trimethyl-10-methylene-, (3R-(3R*,3aR*,4S*,4aS*,5R*,6R*,6aS*,7aR*,7bS*,8R*,8aS*,9aR*,11S*,11aR*))-

Registry Numbers

CAS Registry Number

  • 131400-39-0

System Generated Number

  • 0131400390

Structure Descriptors

InChI

1S/C24H31ClO10/c1-7-12-19(32-11(5)27)24(30)9(3)22(29)35-20(24)13(25)8(2)15-16(33-15)18(28)23(12,6)21-17(34-21)14(7)31-10(4)26/h7,9,12-21,28,30H,2H2,1,3-6H3

InChIKey

PGRWMZUTBYCJHO-UHFFFAOYSA-N

Smiles

CC1C2C(C3(C(C(=O)OC3C(C(=C)C4C(O4)C(C2(C5C(C1OC(=O)C)O5)C)O)Cl)C)O)OC(=O)C