(Q105236811)

English

[(3R,4S,5R,6S)-6-[2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propan-2-yloxy]-4,5-diacetyloxyoxan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

eudesmane sesquiterpenoid

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mass

494.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₉

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canonical SMILES

O=C(OC1COC(OC(C)(C)C2CC3=C(C(=O)CCC3(C)CC2)C)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC(=O)C(C)=C3C2)[C@@H]1OC(C)=O

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found in taxon

Iphiona scabra

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stated in

Sesquiterpene xylosides from Iphiona scabra

Identifiers

InChI

InChI=1S/C26H38O9/c1-14-19-12-18(8-10-26(19,7)11-9-20(14)30)25(5,6)35-24-23(34-17(4)29)22(33-16(3)28)21(13-31-24)32-15(2)27/h18,21-24H,8-13H2,1-7H3/t18-,21-,22+,23-,24+,26+/m1/s1

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InChIKey

RIFFTERCXPCOJS-IRILHORRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIFFTERCXPCOJS-IRILHORRSA-N

(Q105236811)

[(3R,4S,5R,6S)-6-[2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]propan-2-yloxy]-4,5-diacetyloxyoxan-3-yl] acetate

Statements

Identifiers

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