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Concept information

Preferred term

اینوترپن D  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O3

inchi

  • InChI=1S/C30H50O3/c1-19(2)8-10-24(32)20(18-31)21-12-16-30(7)23-9-11-25-27(3,4)26(33)14-15-28(25,5)22(23)13-17-29(21,30)6/h8,20-21,24-26,31-33H,9-18H2,1-7H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1

inchikey

  • ZOGUEUUJSNQQJH-KFPHZHIMSA-N

mass

  • 458.727

monoisotopicmass

  • 458.37600

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-2-[(3S,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]-6-methylhept-5-ene-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204863

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