(Q105306832)

English

(2R,3R,4S,5S,6R)-2-[[(1S,2S,4R,4aR,5R,8aS)-4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-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-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-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

432.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₆O₉

0 references

canonical SMILES

OCC1OC(OC2C3C(=CCC(O)C3(C)C(O)CC2C(O)(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)O)C[C@H]2O

0 references

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/C21H36O9/c1-9-5-6-12(23)21(4)13(24)7-10(20(2,3)28)18(14(9)21)30-19-17(27)16(26)15(25)11(8-22)29-19/h5,10-19,22-28H,6-8H2,1-4H3/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19-,21+/m0/s1

0 references

InChIKey

WJJHEMITTPIKAP-RHBYGOJHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJJHEMITTPIKAP-RHBYGOJHSA-N

(Q105306832)

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

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Identifiers

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