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Concept information

organooxygen compound > ester > carboxylic ester > acetate ester > 3beta-acetoxy-15alpha,22-dihydroxyhopane
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-acetoxy-15alpha,22-dihydroxyhopane

Preferred term

3beta-acetoxy-15alpha,22-dihydroxyhopane  

Type

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

charge

  • 0

formula

  • C32H54O4

inchi

  • InChI=1S/C32H54O4/c1-19(33)36-26-14-16-30(7)22(27(26,2)3)13-17-31(8)23(30)10-11-24-29(6)15-12-20(28(4,5)35)21(29)18-25(34)32(24,31)9/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22-,23+,24+,25-,26-,29-,30-,31+,32-/m0/s1

inchikey

  • YVAGCSJSVHJSNX-CSTUNLOWSA-N

mass

  • 502.76880

monoisotopicmass

  • 502.40221

smiles

  • CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H]([C@@H]4C[C@H](O)[C@@]32C)C(C)(C)O)C1(C)C

subset

  • 3_STAR

synonym EXACT

  • (3beta,15alpha)-15,22-dihydroxyhopan-3-yl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69636

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