(Q105160087)

English

[(1S,4S,5R,8R,10S,13R,14R,16R,17S,18R,19S,20R)-16-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(16-Hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]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

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC(O)C45OC(=O)C6(CCC(C)C(C)C64)CCC53C)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]2C[C@@H](O)[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C

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found in taxon

Bursera penicillata

1 reference

stated in

Two triterpenoid lactones from the resin of Bursera delpechiana

Bursera linanoe

1 reference

stated in

Two triterpenoid lactones from the resin of Bursera delpechiana

Identifiers

InChI

InChI=1S/C32H50O5/c1-18-9-14-31-16-15-30(8)29(7)13-10-21-27(4,5)24(36-20(3)33)11-12-28(21,6)22(29)17-23(34)32(30,37-26(31)35)25(31)19(18)2/h18-19,21-25,34H,9-17H2,1-8H3/t18-,19+,21+,22-,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1

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InChIKey

LZROFZNBCZZSKV-AZWULREOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZROFZNBCZZSKV-AZWULREOSA-N

1 reference

(Q105160087)

[(1S,4S,5R,8R,10S,13R,14R,16R,17S,18R,19S,20R)-16-hydroxy-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

Statements

Identifiers

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