(Q105179797)

English

[(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-14-en-21-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

477.23626708 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₅NO₈

0 references

canonical SMILES

O=C(OC1C2C3(C=NC4C51OCOC65CC(OC)C7CC(O)(C6C7OC)C42C(OC)CC3)C)C

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isomeric SMILES

CO[C@H]1C[C@]23OCO[C@@]24[C@@H](OC(C)=O)[C@@H]2[C@]5(C)C=N[C@H]4[C@]2([C@@H](OC)CC5)[C@]2(O)C[C@H]1[C@H](OC)[C@@H]23

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found in taxon

Delphinium barbeyi

1 reference

stated in

The structure of barbeline, an unusual C19-diterpenoid alkaloid from delphinium barbeyi huth

Identifiers

InChI

InChI=1S/C25H35NO8/c1-12(27)34-19-18-21(2)7-6-15(30-4)24(18)20(26-10-21)25(19)23(32-11-33-25)9-14(29-3)13-8-22(24,28)17(23)16(13)31-5/h10,13-20,28H,6-9,11H2,1-5H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1

0 references

InChIKey

NIGGLAWRQQYJEM-ZVAWHEGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIGGLAWRQQYJEM-ZVAWHEGMSA-N

(Q105179797)

[(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-14-en-21-yl] acetate

Statements

Identifiers

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