(Q27107310)

Megastachine (English)

5 October 2016

chemical formula

C₂₀H₂₉NO₃

1 reference

Megastachine (English)

5 October 2016

canonical SMILES

CC1CC2C3C(C4C25CCCN(C5=C1)CCC4)C(C(=O)O3)C(C)O

1 reference

Megastachine (English)

5 October 2016

isomeric SMILES

C[C@@H]1C[C@H]2[C@H]3[C@@H]([C@@H]4[C@]25CCCN(C5=C1)CCC4)[C@@H](C(=O)O3)[C@@H](C)O

1 reference

Megastachine (English)

Phlegmariurus megastachyus

5 October 2016

found in taxon

1 reference

stated in

Megastachine, a new alkaloid from Lycopodiummegastachyum

Identifiers

InChI

InChI=1S/C20H29NO3/c1-11-9-14-18-17(16(12(2)22)19(23)24-18)13-5-3-7-21-8-4-6-20(13,14)15(21)10-11/h10-14,16-18,22H,3-9H2,1-2H3/t11-,12-,13-,14+,16+,17+,18+,20-/m1/s1

1 reference

Megastachine (English)

5 October 2016

2 references

Megastachine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

Megastachine (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=72049-07-1

8 April 2021

1 reference

Megastachine (English)

5 October 2016

2 references

Megastachine (English)

matched by identifier from

5 October 2016

ChEBI ID

6721

mapping relation type

2 references

Megastachine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H29NO3/c1-11-9-14-18-17(16(12(2)22)19(23)24-18)13-5-3-7-21-8-4-6-20(13,14)15(21)10-11/h10-14,16-18,22H,3-9H2,1-2H3/t11-,12-,13-,14+,16+,17+,18+,20-/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

DSSTOX compound identifier

0 references

1 reference

Megastachine (English)

5 October 2016

1 reference

Megastachine (English)