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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > 22b-acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 22b-acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid

Preferred term

22b-acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O6

inchi

  • InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+/t19?,23-,24+,25?,26-,27+,30-,31-,32-/m1/s1

inchikey

  • PXBRGMAJKPPNOG-DRIPWNGSSA-N

mass

  • 528.730

monoisotopicmass

  • 528.34509

smiles

  • O=C(O)/C(=C/C[C@H](OC(=O)C)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,5S)-5-acetyloxy-6-[(3R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204996

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