(Q104946489)

English

(2S,3R,4R,5S,6S)-2-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1S,2R,4S,5S)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

NCGC00384975-01_C21H36O11_beta-D-Glucopyranoside, (1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-

1 reference

based on heuristic

inferred from SMILES

mass

464.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4S,5S)-5-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-yl]6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₆O₁₁

0 references

canonical SMILES

OCC1(O)COC(OCC2OC(OC3CC4C(O)CC3(C)C4(C)C)C(O)C(O)C2O)C1O

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isomeric SMILES

CC1(C)[C@@H]2C[C@@H](O[C@H]3O[C@@H](CO[C@H]4OC[C@@](O)(CO)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)C[C@@H]2O

0 references

found in taxon

Tinospora cordifolia

1 reference

stated in

Aporphine alkaloids, clerodane diterpenes, and other constituents from Tinospora cordifolia

Identifiers

InChI

InChI=1S/C21H36O11/c1-19(2)9-4-12(20(19,3)5-10(9)23)32-17-15(26)14(25)13(24)11(31-17)6-29-18-16(27)21(28,7-22)8-30-18/h9-18,22-28H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,16-,17-,18+,20-,21+/m1/s1

0 references

InChIKey

BVEVSYQMQABMQM-WZIUTBGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVEVSYQMQABMQM-WZIUTBGXSA-N

(Q104946489)

(2S,3R,4R,5S,6S)-2-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1S,2R,4S,5S)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol

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