(Q105301825)

English

(E,5R,6S)-5-hydroxy-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Hydroxy-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E,5R,6S)-5-hydroxy-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C(O)C(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

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isomeric SMILES

C/C(=C\C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O

0 references

found in taxon

Mangifera indica

2 references

stated in

29-hydroxymangiferonic acid from Mangifera indica

stated in

Triterpenoids from Mangifera indica

Identifiers

InChI

InChI=1S/C30H48O4/c1-18(25(33)34)7-8-21(31)19(2)20-11-13-28(6)23-10-9-22-26(3,4)24(32)12-14-29(22)17-30(23,29)16-15-27(20,28)5/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/b18-7+/t19-,20+,21+,22-,23-,24+,27+,28-,29+,30-/m0/s1

0 references

InChIKey

WCKMOTWOWWZGCU-KQAAUUFSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105301825)

(E,5R,6S)-5-hydroxy-6-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

Statements

Identifiers

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