(Q105158882)

English

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(3R,5R,6R)-5-acetyloxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Acetyloxy-15-[5-acetyloxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

678.413168816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₅₈O₈

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC45CC5(CCC4C6COC(C(OC(=O)C)C6)C(O)(C)C)C3(C)C(OC(=O)C)CC2C1(C)C)C=7C=CC=CC7

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)O

0 references

found in taxon

Dysoxylum mollissimum

1 reference

stated in

Glabretal triterpenoids from Dysoxylum muelleri

Identifiers

InChI

InChI=1S/C41H58O8/c1-24(42)47-29-20-27(22-46-34(29)37(5,6)45)28-14-19-41-23-40(28,41)18-15-30-38(7)17-16-32(49-35(44)26-12-10-9-11-13-26)36(3,4)31(38)21-33(39(30,41)8)48-25(2)43/h9-13,27-34,45H,14-23H2,1-8H3/t27-,28-,29+,30+,31-,32+,33+,34+,38+,39-,40+,41+/m0/s1

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InChIKey

LXJTVYRLGPJPGF-FWPLTUNSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LXJTVYRLGPJPGF-FWPLTUNSSA-N

(Q105158882)

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(3R,5R,6R)-5-acetyloxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

Statements

Identifiers

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