(Q105113248)

English

(9S,2R)-4-((1S,7S,6R)-1,6,7,11,11-Pentamethyl-2-oxatricyclo[8.4.0.0<3,7>]tetradec-6-yl)-2,9-dimethyltetracyclo[7.7.0.0<2,6>.0<10,15>]hexadeca-10,12,14-triene-11,14-diol

group of stereoisomers with the chemical formula C₃₆H₅₄O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.407295588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₃

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canonical SMILES

OC1=CC=C(O)C2=C1CC3C2(C)CCC4CC(CC43C)C5(C)CCC6OC7(C)CCCC(C)(C)C7CCC65C

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isomeric SMILES

CC1(C)CCC[C@]2(C)OC3CC[C@](C)(C4CC5CC[C@]6(C)c7c(O)ccc(O)c7CC6[C@]5(C)C4)[C@]3(C)CCC12

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found in taxon

Haliclona toxia

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stated in

Hexaprenoid hydroquinones, novel inhibitors of the reverse transcriptase of human immunodeficiency virus type 1.

stated in

Toxicols A-C and toxiusol - new bioactive hexaprenoid hydroquinones from Toxiclona toxius

Identifiers

InChI

InChI=1S/C36H54O3/c1-31(2)14-8-15-36(7)27(31)12-17-35(6)29(39-36)13-18-34(35,5)23-19-22-11-16-32(3)28(33(22,4)21-23)20-24-25(37)9-10-26(38)30(24)32/h9-10,22-23,27-29,37-38H,8,11-21H2,1-7H3/t22?,23?,27?,28?,29?,32-,33+,34+,35+,36-/m0/s1

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InChIKey

IHTYFAABRSMFAM-GRVSLJGQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHTYFAABRSMFAM-GRVSLJGQSA-N

1 reference

(Q105113248)

(9S,2R)-4-((1S,7S,6R)-1,6,7,11,11-Pentamethyl-2-oxatricyclo[8.4.0.0<3,7>]tetradec-6-yl)-2,9-dimethyltetracyclo[7.7.0.0<2,6>.0<10,15>]hexadeca-10,12,14-triene-11,14-diol

Statements

Identifiers

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