(Q104400344)

English

[(1R,2R,3R,6R,7S,8S,9R,11R,14R,17S,18S)-4,6,18-triacetyloxy-5-benzoyloxy-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-13-yl] benzoate

group of stereoisomers with the chemical formula C₄₁H₄₃NO₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

741.278525816 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₃NO₁₂

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canonical SMILES

O=CC1(C)C(OC(=O)C)C(OC(=O)C=2C=CC=CC2)C(OC(=O)C)C34C5N(C)C(C(O)C67CC(=C)C(C(OC(=O)C=8C=CC=CC8)C56)C(OC(=O)C)C73)C14

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isomeric SMILES

C=C1C[C@]23C4C(OC(=O)c5ccccc5)[C@H]1[C@@H](OC(C)=O)[C@H]2[C@]12C(OC(C)=O)C(OC(=O)c5ccccc5)[C@H](OC(C)=O)[C@@](C)(C=O)[C@H]1[C@H]([C@H]3O)N(C)[C@H]42

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found in taxon

Delphinium majus

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stated in

Diterpenoid alkaloids from Delphinium caeruleum

Identifiers

InChI

InChI=1S/C41H43NO12/c1-19-17-40-26-28(53-37(48)23-13-9-7-10-14-23)25(19)29(50-20(2)44)32(40)41-31(27(34(40)47)42(6)33(26)41)39(5,18-43)35(51-21(3)45)30(36(41)52-22(4)46)54-38(49)24-15-11-8-12-16-24/h7-16,18,25-36,47H,1,17H2,2-6H3/t25-,26?,27+,28?,29+,30?,31+,32+,33+,34+,35-,36?,39-,40-,41+/m0/s1

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InChIKey

XDDAEJYWWRYPIF-DFHJARNNSA-N

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1 reference

26 December 2021

1 reference

(Q104400344)

[(1R,2R,3R,6R,7S,8S,9R,11R,14R,17S,18S)-4,6,18-triacetyloxy-5-benzoyloxy-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-13-yl] benzoate

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