(Q105150303)

English

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6R,7R,8aR)-6,7-dihydroxy-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-(6,7-Dihydroxy-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

416.241018112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₆O₈

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canonical SMILES

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

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isomeric SMILES

C=C1[C@@H](O)[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/C21H36O8/c1-10-12-7-11(5-6-21(12,4)8-13(23)15(10)24)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16-,17+,18-,19+,21-/m1/s1

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InChIKey

LDPAVRBHBSJMIE-JBZYYGELSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105150303)

(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,6R,7R,8aR)-6,7-dihydroxy-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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