(Q110189864)

English

(1S,3'R,4aS,7aS)-3-[[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]methyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,3'R,4aS,7aS)-3-[(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)methyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol

1 reference

based on heuristic

inferred from SMILES

3-[(6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)methyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol

1 reference

based on heuristic

inferred from SMILES

mass

456.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₅

0 references

canonical SMILES

OC1CC2(OC(=CC3(C)CCCC23C)CC4(OC=5C(=CC(OC)=CC5CC4)C)C)OC1(C)C

0 references

isomeric SMILES

COc1cc(C)c2c(c1)CC[C@](C)(CC1=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O1)O2

0 references

found in taxon

Cystophora fibrosa

1 reference

stated in

Tetraprenyltoluquinols from the brown alga Cystophora fibrosa.

Identifiers

InChI

InChI=1S/C28H40O5/c1-18-13-20(30-7)14-19-9-12-26(5,32-23(18)19)16-21-15-25(4)10-8-11-27(25,6)28(31-21)17-22(29)24(2,3)33-28/h13-15,22,29H,8-12,16-17H2,1-7H3/t22-,25+,26-,27+,28+/m1/s1

0 references

InChIKey

GKTCAZZZORZSFL-LSNQXMIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKTCAZZZORZSFL-LSNQXMIESA-N

(Q110189864)

(1S,3'R,4aS,7aS)-3-[[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]methyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol

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