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Substance Name: Ursiniolide A
RN: 52677-96-0
InChIKey: XBYFQUZGOAYUQG-CQPSEBJYSA-N

Molecular Formula

  • C22-H28-O7

Molecular Weight

  • 404.4562
 
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Names and Synonyms

Results Name

  • Ursiniolide A

Synonym

  • Ursiniolide A

Systematic Name

  • Oxiranecarboxylic acid, 2,3-dimethyl-, 9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(2R*,3R*),6E,9S*,10E,11aR*))-

Registry Numbers

CAS Registry Number

  • 52677-96-0

System Generated Number

  • 0052677960

Structure Descriptors

InChI

1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7-,12-10-/t14?,16?,17?,18?,19-,22?/m1/s1

InChIKey

XBYFQUZGOAYUQG-CQPSEBJYSA-N

Smiles

CC1C(O1)(C)C(=O)OC2C/C(=C\CC(/C(=C\C3[C@@H]2C(=C)C(=O)O3)/C)OC(=O)C)/C