(Q104977253)

English

Aceroside III

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

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

mass

592.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₁₂

0 references

canonical SMILES

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

0 references

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

0 references

found in taxon

Acer nikoense

3 references

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.

stated in

Acerogenin M, a cyclic diarylheptanoid, and other phenolic compounds from Acer nikoense and their anti-inflammatory and anti-tumor-promoting effects

stated in

Studies on the constituents of aceraceae plants. VI. Revised stereochemistry of (-)-centrolobol, and new glycosides from Acer nikoense.

Parthenocissus tricuspidata

3 references

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.

stated in

Acerogenin M, a cyclic diarylheptanoid, and other phenolic compounds from Acer nikoense and their anti-inflammatory and anti-tumor-promoting effects

stated in

Studies on the constituents of aceraceae plants. VI. Revised stereochemistry of (-)-centrolobol, and new glycosides 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-/m1/s1

0 references

InChIKey

DEIACGRTXLHUPJ-OEXLDJCDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104977253)

Aceroside III

Statements

Identifiers

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