(Q105153823)

English

[(1R,2R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2-Hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

514.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₅

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C6(OC(=O)C5(CCC6C)C(O)CC43C)C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@]5(C)OC(=O)[C@@]4(CC[C@@H]5C)[C@H](O)C[C@]23C)C1(C)C

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found in taxon

Pieris japonica

1 reference

stated in

Triterpenoids of the bark of Pieris japonica D. Don.

Identifiers

InChI

InChI=1S/C32H50O5/c1-18-11-16-32-23(34)17-30(7)20(25(32)31(18,8)37-26(32)35)9-10-22-28(5)14-13-24(36-19(2)33)27(3,4)21(28)12-15-29(22,30)6/h18,20-25,34H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24-,25+,28-,29+,30+,31-,32-/m0/s1

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InChIKey

LMAQNHCBSLCTIL-YUOOOASKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105153823)

[(1R,2R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20S)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

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Identifiers

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