(Q105112171)

English

(1R,4R)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,4S)-4-[(2S,4aR,8aS)-2-[(2R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

1 reference

based on heuristic

inferred from SMILES

4-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

604.297466136 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

(1S,4R)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₃BrO₇

0 references

canonical SMILES

BrC1CCC(OC1(C)C)(C)C2OC3CCC(OC3(C)CC2)C(O)(C)CCC(O)C4(OC(CC4)C(O)(C)C)C

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isomeric SMILES

CC(C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1

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found in taxon

Laurencia venusta

1 reference

stated in

Venustatriol. A new, anti-viral, triterpene tetracyclic ether from Laurencia venusta

Identifiers

InChI

InChI=1S/C30H53BrO7/c1-25(2,33)21-13-17-28(6,36-21)20(32)12-15-27(5,34)22-9-10-23-29(7,37-22)18-14-24(35-23)30(8)16-11-19(31)26(3,4)38-30/h19-24,32-34H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24-,27-,28+,29+,30+/m1/s1

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InChIKey

IFHPYSVGNHWKDY-VDKDSFFQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFHPYSVGNHWKDY-VDKDSFFQSA-N

1 reference

(Q105112171)

(1R,4R)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol

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Identifiers

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