(Q104950490)

English

(E,6R)-6-[(1S,3R,6S,8R,11S,12S,13S,15R,16R)-6-hydroxy-7,7,13,16-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

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subclass of

6-(6-Hydroxy-7,7,13,16-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

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C(O)C(=CCCC(C)C1CC(C)C2C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)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@@H](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/C30H48O3/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/h9,18,20-25,31H,7-8,10-17H2,1-6H3,(H,32,33)/b19-9+/t18-,20+,21+,22-,23+,24+,25+,28-,29+,30-/m1/s1

0 references

InChIKey

BZJFZRWUAUGEDG-KKAVHRCJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZJFZRWUAUGEDG-KKAVHRCJSA-N

(Q104950490)

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

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Identifiers

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