(Q105328237)

English

[(9R,13S,16S,17R,18S)-16-[(1R)-1-hydroxy-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[16-[1-Hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

536.27740362 dalton

1 reference

1 reference

C₃₂H₄₀O₇

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canonical SMILES

O=C1OC(C)(C)C2C=CC3=C(C=C2C=C1)CC(OC(=O)C)C4(C)C(CCC34C)C(O)(C)C5OC(=O)C(=CC5)C

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isomeric SMILES

CC(=O)O[C@H]1CC2=C(C=C[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C

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found in taxon

Kadsura heteroclita

1 reference

stated in

Structural determination of seven new triterpenoids from Kadsura heteroclita by NMR techniques

Identifiers

InChI

InChI=1S/C32H40O7/c1-18-8-12-25(38-28(18)35)32(7,36)24-14-15-30(5)23-11-10-22-20(9-13-27(34)39-29(22,3)4)16-21(23)17-26(31(24,30)6)37-19(2)33/h8-11,13,16,22,24-26,36H,12,14-15,17H2,1-7H3/t22-,24+,25+,26+,30+,31+,32-/m1/s1

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InChIKey

XHOUDPVGNPJRHS-WKHULVKOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHOUDPVGNPJRHS-WKHULVKOSA-N

(Q105328237)

[(9R,13S,16S,17R,18S)-16-[(1R)-1-hydroxy-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate

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