(Q104961691)

English

[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a-hydroxy-7-methoxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate

chemical compound

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instance of

type of chemical entity

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1 reference

(5,6-Diacetyloxy-4a-hydroxy-7-methoxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

506.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₉

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canonical SMILES

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

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isomeric SMILES

CO[C@]1(C)c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C

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found in taxon

Caesalpinia minax

2 references

stated in

New antiviral cassane furanoditerpenes from Caesalpinia minax.

stated in

Anti-inflammation furanoditerpenoids from Caesalpinia minax Hance

Biancaea decapetala

1 reference

stated in

Characterization of diterpenoids from Caesalpinia decapetala and their anti-TMV activities

Identifiers

InChI

InChI=1S/C27H38O9/c1-14(28)34-20-9-11-24(4,5)27(31)23(36-16(3)30)22(35-15(2)29)21-18(25(20,27)6)13-19-17(10-12-33-19)26(21,7)32-8/h10,12,18,20-23,31H,9,11,13H2,1-8H3/t18-,20-,21-,22+,23-,25-,26+,27+/m0/s1

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InChIKey

CJTOTGKHOAAHOA-PTPHJPJZSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104961691)

[(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-5,6-diacetyloxy-4a-hydroxy-7-methoxy-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1-yl] acetate

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