(Q104946026)

English

[(3aS,4S,5S,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-hydroxy-2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Dihydroacanthospermal A

1 reference

based on heuristic

inferred from SMILES

[6-(Hydroxymethyl)-10-methyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-hydroxy-2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

436.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₈

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canonical SMILES

O=C1OC2C=C(C)CCC=C(CO)C(OC(=O)C(O)(C)C)C(OC(=O)C(C)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO)[C@H](OC(=O)C(C)(C)O)[C@@H](OC(=O)C(C)C)[C@@H]12

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found in taxon

Acanthospermum glabratum

1 reference

stated in

Potential anticancer agents. Part 13. Cytotoxic constituents of Acanthospermum glabratum(Asteraceae)

Identifiers

InChI

InChI=1S/C23H32O8/c1-12(2)20(25)30-19-17-14(4)21(26)29-16(17)10-13(3)8-7-9-15(11-24)18(19)31-22(27)23(5,6)28/h9-10,12,16-19,24,28H,4,7-8,11H2,1-3,5-6H3/b13-10+,15-9-/t16-,17+,18+,19+/m1/s1

0 references

InChIKey

BUCVLNRNADZCKH-FPPPUSSXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUCVLNRNADZCKH-FPPPUSSXSA-N

(Q104946026)

[(3aS,4S,5S,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-hydroxy-2-methylpropanoate

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Identifiers

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