(Q105203776)

English

[(9R,13S,15R,16R,17R,18S)-15-acetyloxy-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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Statements

instance of

type of chemical entity

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subclass of

[15-Acetyloxy-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

594.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₉

0 references

canonical SMILES

O=C1OC(C)(C)C2C=CC3=C(C=C2C=C1)CC(OC(=O)C)C4(C)C(C(OC(=O)C)CC34C)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)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C

0 references

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/C34H42O9/c1-18-9-13-26(42-30(18)38)34(8,39)29-25(40-19(2)35)17-32(6)24-12-11-23-21(10-14-28(37)43-31(23,4)5)15-22(24)16-27(33(29,32)7)41-20(3)36/h9-12,14-15,23,25-27,29,39H,13,16-17H2,1-8H3/t23-,25-,26+,27+,29+,32+,33-,34+/m1/s1

0 references

InChIKey

OZGJHTKUIUKNKQ-MCFBLURZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZGJHTKUIUKNKQ-MCFBLURZSA-N

(Q105203776)

[(9R,13S,15R,16R,17R,18S)-15-acetyloxy-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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Identifiers

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