(Q105257557)

English

[(1S,4R,5S,6R,8R,10S,12S,13S,15S,16R,18S,21R)-8-ethoxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-15-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

620.392433372 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4R,5R,6R,8R,10S,12S,13S,15S,16R,18S,21R)-8-ethoxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-15-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4R,5R,6R,8R,10S,12S,13R,15S,16S,18S,21R)-8-ethoxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-15-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₆O₉

0 references

canonical SMILES

O=C(OC1CC2C3(C)CC4OC(OCC)CC(C)C4C3(C)CCC52CC65CCC(OC7OCC(O)C(O)C7O)C(C)(C)C16)C

0 references

isomeric SMILES

CCO[C@H]1C[C@@H](C)[C@@H]2[C@H](C[C@@]3(C)[C@@H]4C[C@H](OC(C)=O)[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1

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found in taxon

Astragalus tomentosus

1 reference

stated in

Acetals of three new cycloartane-type saponins from Egyptian collections of Astragalus tomentosus.

Astragalus fruticosus

1 reference

stated in

Acetals of three new cycloartane-type saponins from Egyptian collections of Astragalus tomentosus.

Astragalus syriacus

1 reference

stated in

Acetals of three new cycloartane-type saponins from Egyptian collections of Astragalus tomentosus.

Identifiers

InChI

InChI=1S/C35H56O9/c1-8-40-25-13-18(2)26-22(43-25)15-33(7)23-14-21(42-19(3)36)29-31(4,5)24(44-30-28(39)27(38)20(37)16-41-30)9-10-35(29)17-34(23,35)12-11-32(26,33)6/h18,20-30,37-39H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26-,27+,28-,29+,30+,32-,33+,34+,35-/m1/s1

0 references

InChIKey

SPRWRZLWRVMFBX-KHIYMLHFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPRWRZLWRVMFBX-KHIYMLHFSA-N

(Q105257557)

[(1S,4R,5S,6R,8R,10S,12S,13S,15S,16R,18S,21R)-8-ethoxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-15-yl] acetate

Statements

Identifiers

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