(Q27261955)

Calenduladiol (English)

(1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol

14 October 2016

stereoisomer of

2 references

(1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol

inferred from InChI

1 reference

chemical formula

C₃₀H₅₀O₂

1 reference

Calenduladiol (English)

14 October 2016

canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C

1 reference

Calenduladiol (English)

14 October 2016

isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]2O)C)C)(C)C)O)C)C

1 reference

Calenduladiol (English)

14 October 2016

found in taxon

Pulicaria canariensis

4 references

Sesquiterpenoids from Pulicaria canariensis and Their Cytotoxic Activities

Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.

Sesquiterpenoids from Pulicaria canariensis and Their Cytotoxic Activities

Sesquiterpenoids from Pulicaria canariensis and Their Cytotoxic Activities

Eleocharis acutangula

1 reference

Steroids and triterpenes from Eleocharis acutangula and E. sellowiana (Cyperaceae).

Eleocharis sellowiana

1 reference

Steroids and triterpenes from Eleocharis acutangula and E. sellowiana (Cyperaceae).

Calendula officinalis

2 references

Intracellular localization of metabolism of lupeol and its palmitate in Calendula officinalis flowers

The role of triterpenoids in the topical anti-inflammatory activity of Calendula officinalis flowers

Chrysanthemum morifolium

1 reference

Constituents of compositae plants. 2. Triterpene diols, triols, and their 3-o-fatty acid esters from edible chrysanthemum flower extract and their anti-inflammatory effects

Santolina rosmarinifolia

1 reference

Bioactive sesquiterpenes from Santolina rosmarinifolia subsp. Canescens. A conformational analysis of the germacrane ring

Senecio tauricolus

1 reference

Furanoeremophilanes and a bakkenolide from Senecio auricula var. major

Jatropha neopauciflora

1 reference

Cytotoxic cis-fused bicyclic sesquiterpenoids from Jatropha neopauciflora.

Beyeria leschenaultii

1 reference

The chemistry of the Euphorbiaceae. VI. A triterpene from Beyeria leschenaultii

Centipeda minima

1 reference

Biologically Active Constituents of Centipedaminima: Sesquiterpenes of Potential Anti-allergy Activity

Monteverdia apurimacensis

1 reference

Triterpenoids and a lignan from the aerial parts of Maytenus apurimacensis.

Monteverdia retusa

1 reference

Cytotoxic triterpenoids from Maytenus retusa

Oedera calycina

1 reference

Diterpenes and other constituents fromRelhania species

Relhania calycina

1 reference

Diterpenes and other constituents fromRelhania species

Stauntonia obovatifoliola

1 reference

Anti-HIV-1 protease triterpenoids from Stauntonia obovatifoliola Hayata subsp. intermedia

Senecio tauricola

1 reference

Furanoeremophilanes and a bakkenolide from Senecio auricula var. major

Dendranthema morifolium

1 reference

Constituents of compositae plants. 2. Triterpene diols, triols, and their 3-o-fatty acid esters from edible chrysanthemum flower extract and their anti-inflammatory effects

Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30+/m0/s1

1 reference

Calenduladiol (English)

14 October 2016

1 reference

Global Substance Registration System

Calenduladiol (English)

14 October 2016

2 references

UNII

5F669S8218

calenduladiol (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=10070-48-1

9 April 2021

1 reference

(3beta,16beta)-Lup-20(29)-ene-3,16-diol (English)

14 October 2016

2 references

Calenduladiol (English)

14 October 2016

1 reference

CALENDULADIOL (English)

14 October 2016

2 references

DSSTOX compound identifier

1 reference

0 references

0 references

0 references

0 references

Human Metabolome Database ID

HMDB0302677

2 references

UNII

5F669S8218

2 references

Global Substance Registration System

UNII

5F669S8218

calenduladiol (English)

14 October 2016