(Q104962705)

English

(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[[6-Hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

552.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₁₂

0 references

canonical SMILES

OC=1C=C2C(=CC1OC)CC(COC3OC(CO)C(O)C(O)C3O)C(CO)C2C4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc2c(cc1O)[C@@H](c1cc(OC)c(O)c(OC)c1)[C@H](CO)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2

0 references

found in taxon

Santisukia kerrii

1 reference

stated in

Phenolic glycosides from Barnettia kerrii

Identifiers

InChI

InChI=1S/C27H36O12/c1-35-18-5-12-4-14(11-38-27-26(34)25(33)24(32)21(10-29)39-27)16(9-28)22(15(12)8-17(18)30)13-6-19(36-2)23(31)20(7-13)37-3/h5-8,14,16,21-22,24-34H,4,9-11H2,1-3H3/t14-,16-,21-,22-,24-,25+,26-,27-/m1/s1

0 references

InChIKey

CKROCJFSOHJSHM-KIJHUKDCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKROCJFSOHJSHM-KIJHUKDCSA-N

(Q104962705)

(2R,3R,4S,5S,6R)-2-[[(2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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