(Q105164730)

English

[(3S,4R,5S,6R)-4,5-diacetyloxy-6-[[(4S,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]oxan-3-yl] acetate

group of stereoisomers with the chemical formula C₂₆H₄₀O₈

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Statements

instance of

group of stereoisomers

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subclass of

cycloguaiane sesquiterpenoid

1 reference

inferred from

cycloguaiane sesquiterpenoid

mass

480.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₈

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canonical SMILES

O=C(OC1COC(OC2(C)CCC34C(C)CCC(C(C)C)C4C23)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1CO[C@H](O[C@@]2(C)CCC34[C@@H](C)CC[C@@H](C(C)C)[C@@H]3[C@H]42)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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found in taxon

Iphiona scabra

1 reference

stated in

10-EPI-cubebolxyloside from Iphiona scabra

Identifiers

InChI

InChI=1S/C26H40O8/c1-13(2)18-9-8-14(3)26-11-10-25(7,23(26)20(18)26)34-24-22(33-17(6)29)21(32-16(5)28)19(12-30-24)31-15(4)27/h13-14,18-24H,8-12H2,1-7H3/t14-,18-,19-,20+,21+,22-,23-,24+,25-,26?/m0/s1

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InChIKey

MIHJCMUFHPSQQC-SWUNALGFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIHJCMUFHPSQQC-SWUNALGFSA-N

(Q105164730)

[(3S,4R,5S,6R)-4,5-diacetyloxy-6-[[(4S,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]oxan-3-yl] acetate

Statements

Identifiers

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