(Q105144030)

English

[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(14-Ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

1 reference

based on heuristic

inferred from SMILES

mass

694.3465458 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀N₂O₁₀

0 references

canonical SMILES

O=C(OCC12CN(CC)C3C45OCOC65CC(OC)C7CC(C6C7OC)C3(C(OC)CC1)C2C4OC)C=8C=CC=CC8N9C(=O)CC(C9=O)C

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isomeric SMILES

CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1OC)[C@@H](OC)[C@H]24

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found in taxon

Delphinium elatum

1 reference

stated in

New Diterpenoid Alkaloids from Delphinium staphisagria Linné

Delphinium shawurense

1 reference

stated in

Shawurensine, a new C19-diterpenoid alkaloid from Delphinium shawurense

Identifiers

InChI

InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34-,35-,36+,37-,38+/m0/s1

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InChIKey

KOWWOODYPWDWOJ-VDIDUINNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOWWOODYPWDWOJ-VDIDUINNSA-N

1 reference

(Q105144030)

[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

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Identifiers

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