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Chemistry, part 2

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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 > urs-13(18)-en-3beta-yl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > urs-13(18)-en-3beta-yl acetate

Preferred term

urs-13(18)-en-3beta-yl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H52O2

inchi

  • InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3/t20-,21+,24?,25?,26?,29-,30+,31-,32-/m1/s1

inchikey

  • IKRLOJLDFINHCU-QBXPSLMRSA-N

mass

  • 468.766

monoisotopicmass

  • 468.39673

smiles

  • O(C1C(C2[C@@](C3[C@]([C@]4(C(CC3)=C5[C@@](CC4)(CC[C@H]([C@@H]5C)C)C)C)(CC2)C)(CC1)C)(C)C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(6aR,6bS,8aR,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:179067

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