(Q104908302)

English

[(1S,2S,3S,4R,5S,6S,8S,12S,13S,16R,19R,20R,21R)-14-ethyl-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-17-en-21-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

489.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-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-17-en-21-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,4S,5R,6S,8R,12R,13S,16R,19S,20R,21S)-14-ethyl-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-17-en-21-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₉NO₇

0 references

canonical SMILES

O=C(OC1C2C3(C=CC(OC)C42C(N(CC)C3)C51OCOC65CC(OC)C7CC4C6C7OC)C)C

0 references

isomeric SMILES

CCN1C[C@]2(C)C=C[C@@H](OC)[C@]34[C@H]5C[C@H]6[C@@H](OC)C[C@]7(OCO[C@@]7([C@@H]13)[C@H](OC(C)=O)[C@@H]42)[C@@H]5[C@@H]6OC

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found in taxon

Delphinium majus

1 reference

stated in

Diterpenoid Alkaloids from Delphinium majus

Delphinium siwanense

1 reference

stated in

Norditerpenoid alkaloids from Delphinium siwanense var. leptogen

Delphinium

1 reference

stated in

The Diterpenoid Alkaloids of Delphinium tatsienense Franch

Identifiers

InChI

InChI=1S/C27H39NO7/c1-7-28-12-24(3)9-8-18(31-5)26-16-10-15-17(30-4)11-25(19(16)20(15)32-6)27(23(26)28,34-13-33-25)22(21(24)26)35-14(2)29/h8-9,15-23H,7,10-13H2,1-6H3/t15-,16-,17-,18+,19-,20+,21+,22+,23-,24-,25-,26-,27+/m0/s1

0 references

InChIKey

AARMMVPNMUKXKI-JUBNNEKQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AARMMVPNMUKXKI-JUBNNEKQSA-N

(Q104908302)

[(1S,2S,3S,4R,5S,6S,8S,12S,13S,16R,19R,20R,21R)-14-ethyl-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-17-en-21-yl] acetate

Statements

Identifiers

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