(Q105297590)

English

[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R,11S)-8,11,12-trihydroxy-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chromane

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mass

520.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₆

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canonical SMILES

O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(O)(C)CCC(O)C(O)(C)C)C)C)C

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isomeric SMILES

CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@@](C)(O)CC[C@H](O)C(C)(C)O)O2

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found in taxon

Lobophytum crassum

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stated in

α-Tocopherols from the Formosan Soft CoralLobophytum crassum

Identifiers

InChI

InChI=1S/C31H52O6/c1-20(12-10-16-30(8,35)18-15-26(33)29(6,7)34)13-11-17-31(9)19-14-25-23(4)27(36-24(5)32)21(2)22(3)28(25)37-31/h20,26,33-35H,10-19H2,1-9H3/t20-,26+,30-,31-/m1/s1

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InChIKey

VVCQFFPTEBKGFH-CFIKWFLLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VVCQFFPTEBKGFH-CFIKWFLLSA-N

1 reference

(Q105297590)

[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R,11S)-8,11,12-trihydroxy-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate

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Identifiers

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