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Concept information

Preferred term

28,29-dihydroxyfriedelan-3-one  

Type

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

charge

  • 0

formula

  • C30H50O3

has_parent_hydride

has_role

inchi

  • InChI=1S/C30H50O3/c1-20-21(33)7-8-22-26(20,3)10-9-23-27(22,4)12-13-29(6)24-17-25(2,18-31)11-15-30(24,19-32)16-14-28(23,29)5/h20,22-24,31-32H,7-19H2,1-6H3/t20-,22+,23-,24-,25+,26+,27-,28+,29-,30+/m0/s1

inchikey

  • ZMSNKXDPESNSSS-CUKXIHTOSA-N

mass

  • 458.71620

monoisotopicmass

  • 458.37600

smiles

  • [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])C[C@](C)(CO)CC[C@]3(CO)CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • (4R,4aS,6aS,6bR,8aR,11R,12aS,12bS,14aS,14bS)-8a,11-bis(hydroxymethyl)-4,4a,6b,11,12b,14a-hexamethylicosahydropicen-3(2H)-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65788

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