Concept information
...
organic molecular entity
organic hydroxy compound
alpha-hydroxy ketone
tertiary alpha-hydroxy ketone
...
organic polycyclic compound
organic tricyclic compound
tricyclic diterpenoid
lathyrane diterpenoid
...
organic polycyclic compound
organic tricyclic compound
tricyclic diterpenoid
lathyrane diterpenoid
...
organic polycyclic compound
organic tricyclic compound
tricyclic diterpenoid
lathyrane diterpenoid
Preferred term
(-)-(6z,12e,2s,3s,4r,5r,9s,11s,15r)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader 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)25(31)24(29)26(17)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
- ZBELSIALTHIOTO-HUFSBHEJSA-N
mass
- 464.59310
monoisotopicmass
- 464.25627
smiles
- C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](OC(=O)/C=C/c1ccccc1)/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,7aR,8R,9Z,11aS)-4a,7-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-8-yl (2E)-3-phenylprop-2-enoate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:67699
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