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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 > astraeusin o
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > astraeusin o

Preferred term

astraeusin o  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O4

inchi

  • InChI=1S/C30H48O4/c1-18(26(33)34)8-10-23(31)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(32)14-15-28(24,5)21(22)13-17-29(20,30)6/h8,19-20,23-25,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,23-,24-,25+,28+,29+,30-/m0/s1

inchikey

  • ZOAZKOJQEVTDKV-ASSAYMTPSA-N

mass

  • 472.710

monoisotopicmass

  • 472.35526

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210731

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