(Q104919844)

English

(1S,2R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-2,20,21-trihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,20,21-Trihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

504.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₆

0 references

canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CC(O)C56COC(O)(C(O)CC5C4(C)CCC3(C)C2C1)C6C

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isomeric SMILES

C[C@@H]1[C@]23CO[C@@]1(O)[C@H](O)C[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]2(C)[C@H]1C[C@H]3O

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found in taxon

Monteverdia horrida

1 reference

stated in

Triterpenes from Maytenus horrida

Identifiers

InChI

InChI=1S/C30H48O6/c1-17-29-16-36-30(17,35)22(32)14-19(29)26(4)10-12-28(6)20-15-25(3,23(33)34)8-7-24(20,2)9-11-27(28,5)18(26)13-21(29)31/h17-22,31-32,35H,7-16H2,1-6H3,(H,33,34)/t17-,18+,19+,20-,21-,22-,24-,25-,26-,27-,28+,29-,30-/m1/s1

0 references

InChIKey

AVUJRZZPEKNXMR-OZGHCOKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVUJRZZPEKNXMR-OZGHCOKWSA-N

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