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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 > tsugaric acid b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tsugaric acid b

Preferred term

tsugaric acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C33H52O5

inchi

  • InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27-,28+,31-,32-,33+/m1/s1

inchikey

  • ZCMJUAGNOJTZBJ-MJWPTZKTSA-N

mass

  • 528.774

monoisotopicmass

  • 528.38147

smiles

  • O[C@H]1[C@@]([C@@]2([C@](C3=C([C@@]4([C@](C([C@H](OC(=O)C)CC4)(C)C)(CC3)[H])C)CC2)(C1)C)C)([C@@H](CCC(C)C(C)=C)C(O)=O)[H]

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172732

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