(Q104964975)

English

(1S,3R,6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol

chemical compound

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type of chemical entity

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subclass of

1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptan-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

568.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide

1 reference

based on heuristic

inferred from InChI

CMOLUFWHADIFGS-FOUFELDSSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O₂

0 references

canonical SMILES

OC1CC2(OC2(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC3=C(C)CCCC3(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)CCC1

0 references

found in taxon

Diospyros kaki

1 reference

stated in

Lipids of the fruit of Diospyros kaki

Identifiers

InChI

InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t35-,39+,40-/m1/s1

0 references

InChIKey

CMOLUFWHADIFGS-XHIIVKSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CMOLUFWHADIFGS-XHIIVKSBSA-N

(Q104964975)

(1S,3R,6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol

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