(Q105342867)

English

(3R,3aR,4aS,5S,8S,8aR,9aR)-3,5,8a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,4a,5,6,7,8,9,9a-decahydrobenzo[f][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,5,8a-Trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,4a,5,6,7,8,9,9a-decahydrobenzo[f][1]benzofuran-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

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canonical SMILES

O=C1OC2CC3(C)C(OC4OC(CO)C(O)C(O)C4O)CCC(C)C3CC2C1C

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isomeric SMILES

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

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found in taxon

Saussurea parviflora

1 reference

stated in

Eudesmane derivatives and other constituents from Saussurea parviflora

Identifiers

InChI

InChI=1S/C21H34O8/c1-9-4-5-15(29-20-18(25)17(24)16(23)14(8-22)28-20)21(3)7-13-11(6-12(9)21)10(2)19(26)27-13/h9-18,20,22-25H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,14+,15-,16+,17-,18+,20-,21+/m0/s1

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InChIKey

XVGMYRALTIXNHP-FWLLLMNZSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105342867)

(3R,3aR,4aS,5S,8S,8aR,9aR)-3,5,8a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,4a,5,6,7,8,9,9a-decahydrobenzo[f][1]benzofuran-2-one

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Identifiers

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