(Q105111402)

English

[2-[[(1S,2R,5R,8aS)-5-[2-[(1S,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

678.326010688 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₃₆H₅₄O₈S₂

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canonical SMILES

O=S(=O)(O)OC1=CC=C(OS(=O)(=O)O)C(=C1)CC2(C)C3C(=CCC2C)C(C)(CCC3)CCC4(C5=CCCC(C)(C)C5CCC4C)C

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isomeric SMILES

C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@]1(C)CCC[C@@H]2C1=CC[C@@H](C)[C@]2(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O

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found in taxon

Haliclona toxia

2 references

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C36H54O8S2/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(43-45(37,38)39)14-17-32(26)44-46(40,41)42/h10,14,16-17,22,24-25,28,31H,8-9,11-13,15,18-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42)/t24-,25+,28-,31+,34+,35-,36-/m0/s1

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InChIKey

IDKFTCRFJYOYKG-QNDSEUTQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDKFTCRFJYOYKG-QNDSEUTQSA-N

1 reference

(Q105111402)

[2-[[(1S,2R,5R,8aS)-5-[2-[(1S,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate

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Identifiers

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