(Q105003849)

English

[(9R,13R,14R,16R,17R,19S)-19-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate

chemical compound

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type of chemical entity

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1 reference

[19-Hydroxy-8,8,13,17-tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

538.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₇

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canonical SMILES

O=C1OC(C)(C)C2C(C=C1)=CC3=C(CC2)C4(C)C(OC(=O)C)CC(C(C)C5OC(=O)C(=CC5)C)C4(C)CC3O

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)C[C@H](O)C3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C

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found in taxon

Tomophagus

1 reference

stated in

Highly Modified Lanostane Triterpenes from Fruiting Bodies of the Basidiomycete Tomophagus sp

Identifiers

InChI

InChI=1S/C32H42O7/c1-17-8-12-26(38-29(17)36)18(2)24-15-27(37-19(3)33)32(7)23-11-10-22-20(9-13-28(35)39-30(22,4)5)14-21(23)25(34)16-31(24,32)6/h8-9,13-14,18,22,24-27,34H,10-12,15-16H2,1-7H3/t18-,22+,24+,25-,26-,27+,31+,32+/m0/s1

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InChIKey

FXEFUBDUKMWZAN-HWJDOGEESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FXEFUBDUKMWZAN-HWJDOGEESA-N

1 reference

(Q105003849)

[(9R,13R,14R,16R,17R,19S)-19-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate

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