(Q105340973)

English

[(1R,5R,8R,9S,11S,13R,14R,16R,17R,18S,19R)-11,16,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

tropane alkaloids

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atidane / atisine / hetisan type alkaloid

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mass

415.235873156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₃NO₅

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canonical SMILES

O=C(OC1C(=C)C2(O)CC3C4N5CC6(C)CCCC47C(C2O)C13CC5(O)C67)C(C)C

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isomeric SMILES

C=C1[C@H](OC(=O)C(C)C)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@@H](O)[C@]1(O)C[C@@H]3[C@H]7N4C6

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found in taxon

Delphinium halteratum

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stated in

Five diterpenoid alkaloids from Delphinium cardiopetalum

Delphinium verdunense

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stated in

Five diterpenoid alkaloids from Delphinium cardiopetalum

Identifiers

InChI

InChI=1S/C24H33NO5/c1-11(2)18(27)30-17-12(3)23(28)8-13-15-21-7-5-6-20(4)10-25(15)24(29,19(20)21)9-22(13,17)14(21)16(23)26/h11,13-17,19,26,28-29H,3,5-10H2,1-2,4H3/t13-,14+,15-,16-,17+,19-,20+,21+,22-,23+,24-/m1/s1

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InChIKey

XSDJVVZNKHIOBC-PRVJHFKZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSDJVVZNKHIOBC-PRVJHFKZSA-N

(Q105340973)

[(1R,5R,8R,9S,11S,13R,14R,16R,17R,18S,19R)-11,16,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] 2-methylpropanoate

Statements

Identifiers

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