(Q105349004)

English

[(1S,2S,3S,4S,5R,6R,8R,12R,13R,16S,19S,20S,21S)-2,6-dihydroxy-4,19-dimethoxy-14,16-dimethyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aconitane alkaloid

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mass

477.23626708 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₅NO₈

0 references

canonical SMILES

O=C(OC1C2C3(C=CC(OC)C42C(N(C)C3)C51OCOC65CC(O)C7CC4(O)C6C7OC)C)C

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isomeric SMILES

CO[C@@H]1[C@H]2[C@@]3(O)C[C@@H]1[C@H](O)C[C@@]21OCO[C@]12[C@@H](OC(C)=O)[C@H]1[C@]4(C)C=C[C@H](OC)[C@@]13[C@H]2N(C)C4

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found in taxon

Delphinium siwanense

1 reference

stated in

Norditerpenoid alkaloids from Delphinium siwanense var. leptogen

Identifiers

InChI

InChI=1S/C25H35NO8/c1-12(27)34-19-18-21(2)7-6-15(30-4)24(18)20(26(3)10-21)25(19)23(32-11-33-25)9-14(28)13-8-22(24,29)17(23)16(13)31-5/h6-7,13-20,28-29H,8-11H2,1-5H3/t13-,14-,15+,16+,17+,18+,19+,20-,21-,22+,23-,24+,25+/m1/s1

0 references

InChIKey

YIRIOYAORYKQRE-BXSHUTGGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YIRIOYAORYKQRE-BXSHUTGGSA-N

(Q105349004)

[(1S,2S,3S,4S,5R,6R,8R,12R,13R,16S,19S,20S,21S)-2,6-dihydroxy-4,19-dimethoxy-14,16-dimethyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl] acetate

Statements

Identifiers

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