(Q104977258)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₀O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

592.25197672 dalton

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based on heuristic

inferred from SMILES

chemical formula

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

OCC1(O)COC(OCC2OC(O[C@@H]3CCCCc4ccc(O)c(c4)Oc4ccc(cc4)CC3)C(O)C(O)C2O)C1O

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found in taxon

Acer maximowiczianum

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stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of 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?/m1/s1

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InChIKey

DEIACGRTXLHUPJ-YFTUDJCUSA-N

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1 reference

4 January 2023

inferred from InChIKey

1 reference

(Q104977258)

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

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