(Q105284096)

English

(4aS,6aS,6bR,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₄O₄

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Statements

group of stereoisomers

0 references

(6aS,6bR,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,7,8,8a,11,12,12b,14b-dodecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

468.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₄

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)C2C1

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Cedrela fissilis

1 reference

Trypanocidal activity of limonoids and triterpenes from Cedrela fissilis.

Identifiers

InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,23?,27-,28+,29+,30-/m0/s1

0 references

VDDPQVQCXWFZJM-LNHGTTLOSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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