(Q105283334)

English

[(1S,4aR,6S,11bS)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,11-hexahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(6-Acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,11-hexahydronaphtho[2,1-f][1]benzofuran-1-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

414.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₆

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canonical SMILES

O=C(OC1C=2C(=C)C=3C=COC3CC2C4(C)C(OC(=O)C)CCC(C)(C)C4(O)C1)C

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isomeric SMILES

C=C1C2=C(Cc3occc31)[C@@]1(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]1(O)C[C@@H]2OC(C)=O

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found in taxon

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Identifiers

InChI

InChI=1S/C24H30O6/c1-13-16-8-10-28-18(16)11-17-21(13)19(29-14(2)25)12-24(27)22(4,5)9-7-20(23(17,24)6)30-15(3)26/h8,10,19-20,27H,1,7,9,11-12H2,2-6H3/t19-,20-,23-,24+/m0/s1

0 references

InChIKey

VBLHHNLILNJNIZ-NVXDSCFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VBLHHNLILNJNIZ-NVXDSCFRSA-N

(Q105283334)

[(1S,4aR,6S,11bS)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,5,6,11-hexahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate

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