(Q27139950)

English

halistanol sulfonic acid F

chemical compound

In more languages

Statements

group of stereoisomers

0 references

0 references

[(2S,3S,5S,6S,10R,13R,17R)-10,13-dimethyl-2,3-disulfooxy-17-[(1R)-1,4,5,5-tetramethylheptyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate

1 reference

based on heuristic

inferred from SMILES

702.27774±0 dalton

1 reference

language of work or name

CHEBI:72477 (English)

7 October 2016

chemical formula

C₃₀H₅₄O₁₂S₃

1 reference

language of work or name

CHEBI:72477 (English)

7 October 2016

canonical SMILES

CCC(C)(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C

1 reference

language of work or name

CHEBI:72477 (English)

7 October 2016

isomeric SMILES

CCC(C)(C)C(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C

1 reference

language of work or name

CHEBI:72477 (English)

7 October 2016

Axinyssa digitata

1 reference

Novel HIV-inhibitory halistanol sulfates F-H from a marine sponge, Pseudoaxinissa digitata

Identifiers

InChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-/m1/s1

1 reference

language of work or name

CHEBI:72477 (English)

7 October 2016

XUMJIMYIZJLITA-TZVJEUQOSA-N

2 references

language of work or name

CHEBI:72477 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,6-trimethyl-2-octanyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triyl tris(hydrogen sulfate) (English)

7 October 2016

2 references

language of work or name

CHEBI:72477 (English)

7 October 2016

matched by identifier from

XUMJIMYIZJLITA-TZVJEUQOSA-N

mapping relation type

2 references

language of work or name

halistanol sulfonic acid F (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t18-,19?,20+,21-,22+,23+,24-,25+,26+,27+,29-,30-/m1/s1

1 reference

language of work or name

CHEMBL1208164 (English)

7 October 2016

UniChem compound ID

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

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