(Q105323633)

English

[(1R,2S,3R,4S,5R,6R,7S,8S,9R,11R,12S,13S,14R,16S,17S,18S)-4,6,18-triacetyloxy-5-benzoyloxy-7-formyl-16,17-dihydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-13-yl] benzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

757.273440436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₃NO₁₃

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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)C67C(O)C(=C)C(C(OC(=O)C=8C=CC=CC8)C56)C(OC(=O)C)C73)C14

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isomeric SMILES

C=C1[C@H](O)[C@@]23[C@H](O)[C@H]4[C@@H]5[C@](C)(C=O)[C@@H](OC(C)=O)[C@H](OC(=O)c6ccccc6)[C@@H](OC(C)=O)[C@@]56[C@@H]2[C@H](OC(C)=O)[C@@H]1[C@@H](OC(=O)c1ccccc1)[C@@H]3[C@H]6N4C

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Delphinium majus

1 reference

Diterpenoid Alkaloids from Delphinium majus

Identifiers

InChI=1S/C41H43NO13/c1-18-24-27(54-37(49)22-13-9-7-10-14-22)25-32-41-30(26(42(32)6)34(48)40(25,33(18)47)31(41)28(24)51-19(2)44)39(5,17-43)35(52-20(3)45)29(36(41)53-21(4)46)55-38(50)23-15-11-8-12-16-23/h7-17,24-36,47-48H,1H2,2-6H3/t24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34+,35-,36+,39-,40-,41+/m0/s1

0 references

WZYFCAODPISKSR-CHMAJFASSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

WZYFCAODPISKSR-CHMAJFASSA-N

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