(Q105117730)

English

Verticinone;Raddeanine

group of stereoisomers with the chemical formula C₂₇H₄₃NO₃

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Statements

group of stereoisomers

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cevane alkaloid

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cevane alkaloid

429.324294236 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₃NO₃

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canonical SMILES

O=C1CC2C3CCC4C(CN5CC(C)CCC5C4(O)C)C3CC2C6(C)CCC(O)CC16

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isomeric SMILES

CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CC[C@@]54C)C3CCC1[C@]2(C)O

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Identifiers

InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,26-,27+/m1/s1

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IQDIERHFZVCNRZ-MXZVVHCASA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IQDIERHFZVCNRZ-MXZVVHCASA-N

UniChem compound ID

1 reference

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