(Q104977249)

English

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(12S)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({4-hydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-yl}oxy)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(12R)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

592.25197672 dalton

1 reference

1 reference

C₃₀H₄₀O₁₂

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canonical SMILES

OC1=CC=C2C=C1OC3=CC=C(C=C3)CCC(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)CCCC2

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isomeric SMILES

OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](O[C@H]3CCCCc4ccc(O)c(c4)Oc4ccc(cc4)CC3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O

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found in taxon

Acer nikoense

2 references

stated in

Studies on the constituents of aceraceae plants. IV. Carbon-13 nuclear magnetic resonance spectra of acerogenin A, rhododendrol and related compounds, and structure of aceroside IV from Acer nikoense.

stated in

Studies on the constituents of aceraceae plants. V. Two diarylheptanoid glycosides and an arylbutanol apiosylglucoside from Acer nikoense.

Parthenocissus tricuspidata

2 references

stated in

Studies on the constituents of aceraceae plants. V. Two diarylheptanoid glycosides and an arylbutanol apiosylglucoside from Acer nikoense.

stated in

Studies on the constituents of aceraceae plants. IV. Carbon-13 nuclear magnetic resonance spectra of acerogenin A, rhododendrol and related compounds, and structure of aceroside IV from Acer nikoense.

Identifiers

InChI

InChI=1S/C30H40O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-29,31-37H,1-5,9,14-16H2/t19-,23+,24+,25-,26+,27-,28+,29+,30+/m0/s1

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InChIKey

DEIACGRTXLHUPJ-BYISUTRTSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104977249)

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(12S)-4-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-yl]oxy]oxane-3,4,5-triol

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