(Q105337841)

English

(2R)-5-[[(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

chemical compound

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instance of

type of chemical entity

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subclass of

5-[[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol

1 reference

based on heuristic

inferred from SMILES

5-({2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-yl}oxy)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

790.590010976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₇₈O₄

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canonical SMILES

OC=1C=C(C=2OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CCC2C1OC=3C=C(C=4OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CCC4C3)C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(Oc3c(O)cc(C)c4c3CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc(C)c2O1

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found in taxon

Cratoxylum cochinchinense

1 reference

stated in

Triterpenoids, tocotrienols and xanthones from the bark of Cratoxylum Cochinchinense

Iryanthera grandis

1 reference

stated in

Tocotrienols from Iryanthera grandis

Identifiers

InChI

InChI=1S/C54H78O4/c1-38(2)19-13-21-40(5)23-15-25-42(7)27-17-31-53(11)33-29-46-37-47(35-44(9)50(46)57-53)56-52-48-30-34-54(12,58-51(48)45(10)36-49(52)55)32-18-28-43(8)26-16-24-41(6)22-14-20-39(3)4/h19-20,23-24,27-28,35-37,55H,13-18,21-22,25-26,29-34H2,1-12H3/b40-23+,41-24+,42-27+,43-28+/t53-,54+/m0/s1

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InChIKey

XOPGGNWDSFHYPK-CAFAFBTISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOPGGNWDSFHYPK-CAFAFBTISA-N

(Q105337841)

(2R)-5-[[(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

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Identifiers

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