(Q105284543)

English

(3S,3aS,6R,6aS,9S,9aR,9bR)-3,6,9a-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,6a,7,8,9,9b-decahydroazuleno[4,5-b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,6,9a-Trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,6a,7,8,9,9b-decahydroazuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

414.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₈

0 references

canonical SMILES

O=C1OC2C(CCC(C)C3CCC(OC4OC(CO)C(O)C(O)C4O)C23C)C1C

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isomeric SMILES

C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@H](C)[C@@H]1CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C

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found in taxon

Ambrosia arborescens

1 reference

stated in

Sesquiterpenes and diterpenes from Ambrosia arborescens

Identifiers

InChI

InChI=1S/C21H34O8/c1-9-4-5-11-10(2)19(26)29-18(11)21(3)12(9)6-7-14(21)28-20-17(25)16(24)15(23)13(8-22)27-20/h9-18,20,22-25H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14+,15-,16+,17-,18-,20+,21-/m1/s1

0 references

InChIKey

VEEPYXRCHAGQOU-VILGSXBFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105284543)

(3S,3aS,6R,6aS,9S,9aR,9bR)-3,6,9a-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,6a,7,8,9,9b-decahydroazuleno[4,5-b]furan-2-one

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Identifiers

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