(Q104967351)

English

(3aR,4S,5R,6R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3aH,4H,5H,10H,11H,11aH-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate

group of stereoisomers with the chemical formula C₂₁H₂₆O₈

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Statements

group of stereoisomers

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germacrane sesquiterpenoid

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germacrane sesquiterpenoid

406.1627677919999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₆O₈

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canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C(=O)C=CC(C)CC2OC(=O)C(=C)C21)C)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2CC(C)/C=C\C(=O)[C@](C)(O)[C@@H]1OC(C)=O

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Identifiers

InChI=1S/C21H26O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3/b8-7-/t11?,14-,16-,17+,18-,21+/m1/s1

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COWWBPRRBQOULA-VPKWKAPTSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

COWWBPRRBQOULA-VPKWKAPTSA-N

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