(Q105254417)

English

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-(6-Hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

400.246103492 dalton

1 reference

1 reference

C₂₁H₃₆O₇

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canonical SMILES

OCC1OC(OC(C)(C)C2CCC3(C)CC(O)CC(=C)C3C2)C(O)C(O)C1O

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isomeric SMILES

C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

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found in taxon

Atractylodes lancea

1 reference

stated in

Studies on the Constituents of Atractylodes. II

Identifiers

InChI

InChI=1S/C21H36O7/c1-11-7-13(23)9-21(4)6-5-12(8-14(11)21)20(2,3)28-19-18(26)17(25)16(24)15(10-22)27-19/h12-19,22-26H,1,5-10H2,2-4H3/t12-,13+,14+,15-,16-,17+,18-,19+,21-/m1/s1

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InChIKey

SJMJJDCFAGFDRH-CFBFKWKMSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105254417)

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6S,8aS)-6-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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