(Q104936694)

English

(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bS,7S,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-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-(Hydroxymethyl)-6-[[1-(hydroxymethyl)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

516.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₁₀

0 references

canonical SMILES

OCC1OC(OC2CCC3(C)C4C(=CCC3C2(C)CO)CC(CC4)C(O)(CO)CO)C(O)C(O)C1O

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isomeric SMILES

C[C@@]1(CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@H](C(O)(CO)CO)CC3=CC[C@@H]12

0 references

found in taxon

Isodon eriocalyx

2 references

stated in

An abietane diterpenoid glycoside from Rabdosia eriocalyx

stated in

Flavonoids from Isodon oresbius

Identifiers

InChI

InChI=1S/C26H44O10/c1-24-8-7-19(36-23-22(33)21(32)20(31)17(10-27)35-23)25(2,11-28)18(24)6-3-14-9-15(4-5-16(14)24)26(34,12-29)13-30/h3,15-23,27-34H,4-13H2,1-2H3/t15-,16-,17+,18+,19-,20+,21-,22+,23-,24+,25-/m0/s1

0 references

InChIKey

BIPKKRGVQHIDKM-MVDRARIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BIPKKRGVQHIDKM-MVDRARIKSA-N

(Q104936694)

(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bS,7S,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-(1,2,3-trihydroxypropan-2-yl)-2,3,4,4b,5,6,7,8,10,10a-decahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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