grayanotoxin II (Q27271100)

inferred from SMILES

chemical structure

Grayanotoxin II.svg
512 × 247; 54 KB

0 references

mass

352.225±0 dalton

1 reference

UNII-8W0JHP62TU (English)

(1S,3R,4R,6R,8S,10S,13R,14R,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol

14 October 2016

stereoisomer of

2 references

(1S,3R,4S,6R,8S,10S,13R,14S,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol

inferred from InChIKey

1 reference

1 reference

(1S,3R,4R,6S,8S,10S,13R,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol

inferred from InChI

1 reference

(1S,3S,4S,6S,8R,10S,13R,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₀H₃₂O₅

1 reference

UNII-8W0JHP62TU (English)

14 October 2016

canonical SMILES

CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)O)C

1 reference

UNII-8W0JHP62TU (English)

14 October 2016

isomeric SMILES

C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CC[C@@H]1[C@H]3O)O)O)O

1 reference

Diterpenoids from the flowers of Rhododendron molle.

UNII-8W0JHP62TU (English)

14 October 2016

1 reference

Kalmia latifolia

1 reference

Antifeedant Diterpenes For the Gypsy Moth Larvae From Kalmia latifolia: Isolation and Characterization of Ten Grayanoids

Rhododendron catawbiense

1 reference

The genus Rhododendron: an ethnopharmacological and toxicological review

Rhododendron luteum

1 reference

The genus Rhododendron: an ethnopharmacological and toxicological review

Rhododendron simsii

1 reference

The genus Rhododendron: an ethnopharmacological and toxicological review

Identifiers

InChI

InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16+,18+,19-,20-/m0/s1

1 reference

UNII-8W0JHP62TU (English)

KEOQZUCOGXIEQR-LXFHFZRZSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-8W0JHP62TU (English)

14 October 2016

1 reference

UNII

8W0JHP62TU

grayanotoxin ii (English)

14 October 2016

1 reference

G-II (English)

14 October 2016

2 references

UNII-8W0JHP62TU (English)

matched by identifier from

14 October 2016

InChIKey

KEOQZUCOGXIEQR-LXFHFZRZSA-N

1 reference

DSSTOX compound identifier

CHEMBL453542 (English)

14 October 2016

1 reference

0 references

0 references

2 references

Global Substance Registration System

UNII

8W0JHP62TU

grayanotoxin ii (English)

matched by identifier from

14 October 2016

InChIKey

KEOQZUCOGXIEQR-LXFHFZRZSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download