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Concept information

Preferred term

مولبنزیلانول B  

Type

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

charge

  • 0

formula

  • C20H28O4

has_role

inchi

  • InChI=1S/C20H28O4/c1-11-7-6-8-13(9-11)10-14-20-15(12(2)19(5,23-14)24-20)16(21)17(22)18(20,3)4/h6-9,12,14-17,21-22H,10H2,1-5H3/t12-,14-,15-,16-,17+,19-,20-/m1/s1

inchikey

  • NDPVYKDORPXALK-BJKYDIMVSA-N

mass

  • 332.440

monoisotopicmass

  • 332.19876

smiles

  • [H][C@@]12[C@@H](O)[C@H](O)C(C)(C)[C@]11O[C@@](C)(O[C@@H]1CC1=CC=CC(C)=C1)[C@@H]2C

subset

  • 3_STAR

synonym EXACT

  • (1R,3R,4R,4aR,5R,6R,7aR)-3,4,7,7-tetramethyl-1-(3-methylbenzyl)hexahydro-3,7a-epoxycyclopenta[c]pyran-5,6(1H)-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193001

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