(Q104993285)

English

(2S,6R)-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-methyl-3-methylideneheptanoic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

470.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₃

0 references

canonical SMILES

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

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isomeric SMILES

C=C(CC[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@H](C)C(=O)O

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found in taxon

Mangifera indica

1 reference

stated in

Triterpenoids from Mangifera indicafn1fn1Part iii in the series Triterpenoids from Mangifera indica. For part ii see Anjaneyulu et al., 1989.

Identifiers

InChI

InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34)/t20-,21+,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1

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InChIKey

FCQSIIVNJCMJLB-GQJQNEGCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FCQSIIVNJCMJLB-GQJQNEGCSA-N

(Q104993285)

(2S,6R)-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-methyl-3-methylideneheptanoic acid

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Identifiers

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