(Q105247251)

English

[(1R,3S,9R,12S,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-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-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-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

540.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₇

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canonical SMILES

O=C1OC(C)(C)C2CCC3C4(C)CCC(C(O)(C)C5OC(=O)C(=CC5)C)C4(C)C(OC(=O)C)CC63CC26C=C1

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]23C[C@@]24C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]3[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/C32H44O7/c1-18-8-11-23(38-26(18)35)30(7,36)22-12-14-28(5)21-10-9-20-27(3,4)39-25(34)13-15-31(20)17-32(21,31)16-24(29(22,28)6)37-19(2)33/h8,13,15,20-24,36H,9-12,14,16-17H2,1-7H3/t20-,21-,22-,23-,24-,28-,29-,30+,31+,32-/m0/s1

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InChIKey

RXRAZJRTCFIDPT-FIPPKAKLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXRAZJRTCFIDPT-FIPPKAKLSA-N

(Q105247251)

[(1R,3S,9R,12S,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-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-18-yl] acetate

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