(Q105033984)

English

(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,4aR,5R,8aS)-4,5-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-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-[(4,5-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl)oxy]-6-(hydroxymethyl)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

0 references

canonical SMILES

OCC1OC(OC2C3C(=CCC(O)C3(C)C(O)CC2C(C)C)C)C(O)C(O)C1O

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isomeric SMILES

CC1=CC[C@@H](O)[C@@]2(C)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(C)C)C[C@H]2O

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found in taxon

Aster koraiensis

1 reference

stated in

Phytochemical Constituents from the Flowers of Gymnaster koraiensis and Their Cytotoxic Activities in vitro

Identifiers

InChI

InChI=1S/C21H36O8/c1-9(2)11-7-14(24)21(4)13(23)6-5-10(3)15(21)19(11)29-20-18(27)17(26)16(25)12(8-22)28-20/h5,9,11-20,22-27H,6-8H2,1-4H3/t11-,12-,13-,14-,15-,16-,17+,18-,19-,20+,21-/m1/s1

0 references

InChIKey

HUQZKJPWNKJYME-LZBMYFDBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HUQZKJPWNKJYME-LZBMYFDBSA-N

(Q105033984)

(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,4aR,5R,8aS)-4,5-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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