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Concept information

Preferred term

(4As,6aS,6bR,10S,12aR) 10 هیدروکسی 2,,6a,6b,9,,12a هپت متیل 1,3,4,5,6,,7,8,8a,,11,12,13,14b تترادکاهیدروپیسنیک اسیدا  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C30H48O3

inchi

  • InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,27-,28+,29+,30-/m0/s1

inchikey

  • MIJYXULNPSFWEK-FQRDBSNUSA-N

mass

  • 456.711

monoisotopicmass

  • 456.36035

smiles

  • O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181619

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