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Concept information

Preferred term

helvolic acid  

Type

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

charge

  • 0

formula

  • C33H44O8

has_parent_hydride

inchi

  • InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1

inchikey

  • MDFZYGLOIJNNRM-OAJDADRGSA-N

is_conjugate_acid_of

mass

  • 568.707

monoisotopicmass

  • 568.30362

smiles

  • C=1[C@@]2([C@@]3(CC[C@@]/4([C@@]([C@]3(C([C@H]([C@]2([C@@H](C(C1)=O)C)[H])OC(=O)C)=O)C)(C[C@@H](/C4=C(/CCC=C(C)C)/C(=O)O)OC(=O)C)C)[H])[H])C

subset

  • 3_STAR

synonym EXACT

  • (17Z)-6beta,16beta-diacetoxy-4alpha,8,14-trimethyl-3,7-dioxo-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-1,17,24-trien-21-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62460

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