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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 > (e,6s)-7-hydroxy-2-methyl-6-[(10s,13s,14s,17s)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (e,6s)-7-hydroxy-2-methyl-6-[(10s,13s,14s,17s)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

Preferred term

(e,6s)-7-hydroxy-2-methyl-6-[(10s,13s,14s,17s)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O4

inchi

  • InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,20-21,24,31H,7,9-18H2,1-6H3,(H,33,34)/b19-8+/t20-,21+,24?,28-,29+,30-/m1/s1

inchikey

  • RLTDMRMWVUCOAI-BOVQQMIFSA-N

mass

  • 470.694

monoisotopicmass

  • 470.33961

smiles

  • OC[C@H]([C@]1([C@]2([C@@](C3=C([C@@]4(C(CC3)C(C(=O)CC4)(C)C)C)CC2)(CC1)C)C)[H])CC/C=C(/C)/C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182599

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