(Q104990534)

English

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1R,3S,6S)-6-[(E,3S)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[6-(3-hydroxybut-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

520.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₁₂

0 references

canonical SMILES

OCC1(O)COC(OCC2OC(OC3CC4(OC4(C=CC(O)C)C(C)(C)C3)C)C(O)C(O)C2O)C1O

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isomeric SMILES

C[C@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C

0 references

found in taxon

Carallia brachiata

1 reference

stated in

A new diglycosyl megastigmane from Carallia brachiata

Identifiers

InChI

InChI=1S/C24H40O12/c1-12(26)5-6-24-21(2,3)7-13(8-22(24,4)36-24)34-19-17(29)16(28)15(27)14(35-19)9-32-20-18(30)23(31,10-25)11-33-20/h5-6,12-20,25-31H,7-11H2,1-4H3/b6-5+/t12-,13-,14+,15+,16-,17+,18-,19+,20+,22+,23+,24-/m0/s1

0 references

InChIKey

DWHAWKVKIJBMBD-UGWQYVFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWHAWKVKIJBMBD-UGWQYVFXSA-N

(Q104990534)

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1R,3S,6S)-6-[(E,3S)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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