(Q105113092)

English

(1R,2S,3S,4S,5R,6S,8R,12R,13S,16R,19S,20R)-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]docosan-2-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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]docosan-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

449.277737968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₉NO₆

0 references

canonical SMILES

OC12CC3C(OC)CC4(OCOC54CC6C7(C)CN(CC)C5C61C(OC)CC7)C2C3OC

0 references

isomeric SMILES

CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@@]1(C[C@H]23)OCO[C@@]12C[C@H](OC)[C@H]1C[C@]4(O)[C@@H]2[C@H]1OC

0 references

found in taxon

Delphinium barbeyi

1 reference

stated in

The structure of barbeline, an unusual C19-diterpenoid alkaloid from delphinium barbeyi huth

Identifiers

InChI

InChI=1S/C25H39NO6/c1-6-26-12-21(2)8-7-17(29-4)25-16(21)11-24(20(25)26)23(31-13-32-24)10-15(28-3)14-9-22(25,27)19(23)18(14)30-5/h14-20,27H,6-13H2,1-5H3/t14-,15+,16-,17+,18+,19+,20-,21+,22+,23-,24-,25+/m1/s1

0 references

InChIKey

IHKHAWFZFAIWRL-NJKATMGOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHKHAWFZFAIWRL-NJKATMGOSA-N

(Q105113092)

(1R,2S,3S,4S,5R,6S,8R,12R,13S,16R,19S,20R)-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]docosan-2-ol

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Identifiers

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