(Q105254619)

English

(2S,3aR,7aR)-4,4,7a-trimethyl-2-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,7a-trimethyl-2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

388.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₂O₈

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canonical SMILES

O=C1CC2(OC(CC2C(C)(C)C1)C(OC3OC(CO)C(O)C(O)C3O)C)C

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isomeric SMILES

C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)O1

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found in taxon

Breynia vitis-idaea

1 reference

stated in

Two new glycosides from Breynia vitis-idaea

Identifiers

InChI

InChI=1S/C19H32O8/c1-9(25-17-16(24)15(23)14(22)12(8-20)26-17)11-5-13-18(2,3)6-10(21)7-19(13,4)27-11/h9,11-17,20,22-24H,5-8H2,1-4H3/t9-,11-,12+,13+,14+,15-,16+,17+,19+/m0/s1

0 references

InChIKey

SJXIMPSMCMVXCP-VCOYWXIYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SJXIMPSMCMVXCP-VCOYWXIYSA-N

(Q105254619)

(2S,3aR,7aR)-4,4,7a-trimethyl-2-[(1S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3a,5,7-tetrahydro-2H-1-benzofuran-6-one

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Identifiers

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