(Q105146699)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl]oxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[(3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

416.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₆O₈

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canonical SMILES

OCC1OC(OC2CC3(OC(C)(C)C2CC4C(C)CC(O)C43)C)C(O)C(O)C1O

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isomeric SMILES

C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]2(C)OC1(C)C

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found in taxon

Valeriana fauriei

1 reference

stated in

Sesquiterpenoids and iridoid glycosides from Valeriana fauriei

Valeriana officinalis

1 reference

stated in

Sesquiterpenoids and iridoid glycosides from Valeriana fauriei

Identifiers

InChI

InChI=1S/C21H36O8/c1-9-5-12(23)15-10(9)6-11-13(7-21(15,4)29-20(11,2)3)27-19-18(26)17(25)16(24)14(8-22)28-19/h9-19,22-26H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1

0 references

InChIKey

KVSQIVFQSWVUGM-GHADIOTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVSQIVFQSWVUGM-GHADIOTFSA-N

(Q105146699)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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