(Q63399435)

English

(1S,6R)-2,2,6-trimethyl-1-[(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]heptane

chemical compound

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instance of

type of chemical entity

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1 reference

552.433116412 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1R,6R)-2,2,6-trimethyl-1-[(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]heptane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5S,6R)-beta-carotene 5,6-epoxide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O

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canonical SMILES

CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CCCC2(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(CCCC3(C)C)C)/C)/C

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Identifiers

InChI

InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+/t39-,40+/m1/s1

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InChIKey

RVCRIPILOFSMFG-ASSOPURVSA-N

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PubChem CID

14192316

1 reference

matched by identifier from

InChIKey

RVCRIPILOFSMFG-ASSOPURVSA-N

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000027

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(Q63399435)

(1S,6R)-2,2,6-trimethyl-1-[(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]heptane

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