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Concept information

Preferred term

pinnasterol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O5

inchi

  • InChI=1S/C27H42O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h12-13,15,17-18,21-24,29-32H,6-11,14H2,1-5H3/t17?,18?,21-,22-,23-,24-,25-,26+,27+/m0/s1

inchikey

  • NBEQHHTVOOYUFN-ORTBPADBSA-N

mass

  • 446.628

monoisotopicmass

  • 446.30322

smiles

  • O[C@]([C@@H]1[C@@]2(C(CC1)C=3C(CC2)[C@]4(C[C@H](O)[C@@H](O)C=C4C(=O)C3)C)C)([C@@H](O)CCC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,10R,13S,17S)-17-[(2R,3S)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229822

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