(Q105148580)

English

[(4S,6E,8S,10S,11Z)-8-acetyloxy-10-hydroxy-3-(methoxymethyl)-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8-Acetyloxy-10-hydroxy-3-(methoxymethyl)-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C1OC2=CC(O)(C)CC(OC(=O)C)C=C(C)CC(OC(=O)C(=C)C)C2=C1COC

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@@H](OC(C)=O)C[C@](C)(O)/C=C2\OC(=O)C(COC)=C21

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found in taxon

Rolandra fruticosa

1 reference

stated in

Bioactivity-guided isolation of cytotoxic sesquiterpenes of Rolandra fruticosa.

Identifiers

InChI

InChI=1S/C22H28O8/c1-12(2)20(24)29-17-8-13(3)7-15(28-14(4)23)9-22(5,26)10-18-19(17)16(11-27-6)21(25)30-18/h7,10,15,17,26H,1,8-9,11H2,2-6H3/b13-7+,18-10-/t15-,17+,22+/m1/s1

0 references

InChIKey

LADIUQMLWWNQBC-IBKVNDJESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LADIUQMLWWNQBC-IBKVNDJESA-N

(Q105148580)

[(4S,6E,8S,10S,11Z)-8-acetyloxy-10-hydroxy-3-(methoxymethyl)-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

Statements

Identifiers

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