(Q105347194)

English

[(1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-16-hydroxy-4,5,9,9,13,20,20-heptamethyl-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

0 references

subclass of

(16-Hydroxy-4,5,9,9,13,20,20-heptamethyl-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

500.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC(O)C45OCC6(CCC(C)(C)CC46)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[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)C1(C)C

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found in taxon

Betula davurica

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Betula dahurica

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Betula dauurica

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Identifiers

InChI

InChI=1S/C32H52O4/c1-20(33)36-25-10-11-28(6)21(27(25,4)5)9-12-29(7)22(28)17-24(34)32-23-18-26(2,3)13-15-31(23,19-35-32)16-14-30(29,32)8/h21-25,34H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,28-,29+,30-,31+,32+/m0/s1

0 references

InChIKey

YEEQUSCQXRSBTG-JQUSAAQFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105347194)

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

Statements

Identifiers

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