(Q104918439)

English

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(2S,3R,5S)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-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-(1,2-dihydroxy-2-methylpropyl)-2-hydroxyoxolan-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

652.397518752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₆O₈

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC45CC5(CCC4C6CC(OC6O)C(O)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]2C(C)(C)[C@H](OC(=O)c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@@H]([C@H](O)C(C)(C)O)O[C@@H]3O)[C@]12C

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found in taxon

Dysoxylum mollissimum

1 reference

stated in

Glabretal triterpenoids from Dysoxylum muelleri

Identifiers

InChI

InChI=1S/C39H56O8/c1-22(40)45-30-20-28-34(2,3)29(47-32(42)23-11-9-8-10-12-23)15-16-36(28,6)27-14-17-38-21-39(38,37(27,30)7)18-13-25(38)24-19-26(46-33(24)43)31(41)35(4,5)44/h8-12,24-31,33,41,43-44H,13-21H2,1-7H3/t24-,25+,26+,27-,28+,29-,30-,31+,33+,36-,37+,38-,39-/m1/s1

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InChIKey

ATINGFMQHJZPDU-MPBPIJMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ATINGFMQHJZPDU-MPBPIJMGSA-N

(Q104918439)

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(2S,3R,5S)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-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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