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Content language

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Concept information

ترکیب اکسیژن ارگانیک > مروترپنوئید > آستینول

Preferred term

آستینول  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30O8

inchi

  • InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m0/s1

inchikey

  • DNKFADXVMUNRRM-NYCRJNSTSA-N

mass

  • 458.50090

monoisotopicmass

  • 458.19407

smiles

  • C[C@@H]1OC(=O)[C@@]23C(=C)[C@@](C)(OC(=O)[C@@]12O)[C@H](O)C1=C(C)[C@]2(CC[C@@]31C)C=CC(=O)OC2(C)C

subset

  • 3_STAR

synonym EXACT

  • (3S,3aS,6R,7R,9S,11aR,11bS)-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-3,3a,6,7,11,11a-hexahydro-4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocin-9,3'-pyran]-1,4,6'-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64418

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