(Q105162410)

English

[(4aR,5R,6S,6aR,7R,11aR,11bR)-5-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1-oxo-3,5,6,6a,11,11a-hexahydro-2H-naphtho[2,1-f][1]benzofuran-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(5-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1-oxo-3,5,6,6a,11,11a-hexahydro-2H-naphtho[2,1-f][1]benzofuran-6-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

448.209717984 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₈

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canonical SMILES

O=C(OC1C(OC(=O)C)C2(O)C(C(=O)CCC2(C)C)(C)C3CC=4OC=CC4C(O)(C)C13)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H]2[C@@H](Cc3occc3[C@]2(C)O)[C@@]2(C)C(=O)CCC(C)(C)[C@]2(O)[C@@H]1OC(C)=O

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found in taxon

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Guilandina bonduc

1 reference

stated in

Cassane furanoditerpenoids from the seed kernels of Caesalpinia bonduc from Thailand

Identifiers

InChI

InChI=1S/C24H32O8/c1-12(25)31-19-18-15(11-16-14(8-10-30-16)23(18,6)28)22(5)17(27)7-9-21(3,4)24(22,29)20(19)32-13(2)26/h8,10,15,18-20,28-29H,7,9,11H2,1-6H3/t15-,18-,19+,20-,22+,23+,24-/m1/s1

0 references

InChIKey

MESLDFVKOWKXTR-PIGWULSJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MESLDFVKOWKXTR-PIGWULSJSA-N

(Q105162410)

[(4aR,5R,6S,6aR,7R,11aR,11bR)-5-acetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-1-oxo-3,5,6,6a,11,11a-hexahydro-2H-naphtho[2,1-f][1]benzofuran-6-yl] acetate

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