(Q105342478)

English

(3aR,5aS,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5,8-dimethyl-3-methylidene-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3aH,4H,4aH,6H,7H,7aH,9aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

394.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,5aR,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₇

0 references

canonical SMILES

O=C1OC2C=C(C)C3CCC(OC4OC(C)C(O)C(O)C4O)(C)C3CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12

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found in taxon

Helenium radiatum

1 reference

stated in

Sesquiterpene lactones and flavonoids from Helenium radiatum

Identifiers

InChI

InChI=1S/C21H30O7/c1-9-7-15-13(10(2)19(25)27-15)8-14-12(9)5-6-21(14,4)28-20-18(24)17(23)16(22)11(3)26-20/h7,11-18,20,22-24H,2,5-6,8H2,1,3-4H3/t11-,12+,13+,14+,15+,16-,17+,18+,20-,21+/m0/s1

0 references

InChIKey

XUPDHFIEIOXDJS-SPCYKQKYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XUPDHFIEIOXDJS-SPCYKQKYSA-N

(Q105342478)

(3aR,5aS,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one

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Identifiers

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