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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 > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > ncgc00385187-01

Preferred term

ncgc00385187-01  

Type

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

Broader concept

charge

  • 0

formula

  • C36H56O11

inchi

  • InChI=1S/C36H56O11/c1-17(2)9-12-24(40)36(8,45)29-21(39)14-33(5)23-11-10-18-19(35(23,7)25(41)15-34(29,33)6)13-20(38)30(32(18,3)4)47-31-28(44)27(43)26(42)22(16-37)46-31/h10,19-23,26-31,37-39,42-45H,1,9,11-16H2,2-8H3/t19?,20-,21+,22+,23?,26+,27-,28+,29?,30+,31-,33-,34+,35-,36?/m0/s1

inchikey

  • KISJFUMXCJBLJV-NNNWQWOPSA-N

mass

  • 664.833

monoisotopicmass

  • 664.38226

smiles

  • O[C@H]1C([C@@]2([C@](C3[C@](C4C(C([C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@@H](O)C4)(C)C)=CC3)(C(=O)C2)C)(C1)C)C)C(O)(C)C(=O)CCC(C)=C

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,9R,13R,14S,16R)-2,16-dihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182972

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