(Q105370700)

English

(E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-Methyl-6-(7,7,13,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CC(C)C2C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)C

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isomeric SMILES

C/C(=C\CC[C@@H](C)[C@H]1C[C@H](C)[C@H]2[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@@]21C)C(=O)O

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found in taxon

Mangifera indica

1 reference

stated in

Triterpenoids from Mangifera indica

Identifiers

InChI

InChI=1S/C30H46O3/c1-18(8-7-9-19(2)26(32)33)22-16-20(3)25-21-10-11-23-27(4,5)24(31)12-13-30(23)17-29(21,30)15-14-28(22,25)6/h9,18,20-23,25H,7-8,10-17H2,1-6H3,(H,32,33)/b19-9+/t18-,20+,21+,22-,23+,25+,28-,29+,30-/m1/s1

0 references

InChIKey

ZBLJUKXHJXKSQW-BHWXLCPMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZBLJUKXHJXKSQW-BHWXLCPMSA-N

(Q105370700)

(E,6R)-2-methyl-6-[(1S,3R,8R,11S,12S,13S,15R,16R)-7,7,13,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

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Identifiers

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