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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > lathyrane diterpenoid > (-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one

Preferred term

(-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one  

Type

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

charge

  • 0

formula

  • C29H36O5

inchi

  • InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1

inchikey

  • BFKWILVOTONIQI-NXMQWNJLSA-N

mass

  • 464.59310

monoisotopicmass

  • 464.25627

smiles

  • C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)/C=C/c1ccccc1)[C@@H](O)/C(C)=C/C[C@H]1[C@@H](/C=C(C)/C2=O)C1(C)C

subset

  • 3_STAR

synonym EXACT

  • (1aR,2E,4aR,6S,7S,7aS,9Z,11aS)-4a,8-dihydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,8,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl (2E)-3-phenylprop-2-enoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67698

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