(Q110189858)

English

[(1R,3'S,4aR,7aR)-3-[(E)-4-(2,5-diacetyloxy-3-methylphenyl)-2-methylbut-2-enyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

568.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄O₈

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canonical SMILES

O=C(OC=1C=C(C(OC(=O)C)=C(C1)CC=C(C)CC=2OC3(OC(C)(C)C(OC(=O)C)C3)C4(C)CCCC4(C2)C)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c(OC(C)=O)c(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C[C@H](OC(C)=O)C(C)(C)O3)O2)c1

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found in taxon

Cystophora fibrosa

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stated in

Tetraprenyltoluquinols from the brown alga Cystophora fibrosa.

Identifiers

InChI

InChI=1S/C33H44O8/c1-20(11-12-25-17-26(37-22(3)34)16-21(2)29(25)39-24(5)36)15-27-18-31(8)13-10-14-32(31,9)33(40-27)19-28(38-23(4)35)30(6,7)41-33/h11,16-18,28H,10,12-15,19H2,1-9H3/b20-11+/t28-,31+,32+,33+/m0/s1

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InChIKey

ZXQJQBWEZUVPAA-JKZUHSQGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXQJQBWEZUVPAA-JKZUHSQGSA-N

1 reference

(Q110189858)

[(1R,3'S,4aR,7aR)-3-[(E)-4-(2,5-diacetyloxy-3-methylphenyl)-2-methylbut-2-enyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-yl] acetate

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