(Q27139015)

Rotundic acid (English)

7 October 2016

2 references

inferred from InChIKey

2 references

inferred from InChIKey

(1R,2R,4aS,6aS,6aS,6bR,8aS,9S,10S,12aR,14bR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

(1R,2R,4aS,6aR,6aS,6bR,8aS,9R,10S,12aR,14bR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

chemical formula

C₃₀H₄₈O₅

1 reference

Rotundic acid (English)

7 October 2016

canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)O

1 reference

Rotundic acid (English)

7 October 2016

isomeric SMILES

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

1 reference

Rotundic acid (English)

7 October 2016

found in taxon

Enkianthus campanulatus

1 reference

Triterpenoids from enkianthus campanulatus

Ilex integra

2 references

Antimicrobial triterpenes fromIlex integra and the mechanism of antifungal action

Triterpenoid saponins from Ilex integra

Olea europaea

2 references

Production of triterpene acids by cell suspension cultures of Olea europaea

Production of triterpene acids by cell suspension cultures of Olea europaea

Clethra barbinervis

1 reference

Studies on the constituents of the medicinal plants. XXI. Constituents of the leaves of Clethra barbinervis Sieb. et Zucc. (2) and the 13C-nuclear magnetic resonance spectra of 19.ALPHA.-hydroxyurs-12-en-28-oic acid type of triterpenoids.

Guettarda angelica

2 references

Triterpenoids from guettarda angelica

Triterpenoids from guettarda angelica

Guettarda platypoda

1 reference

Isolation of the Constituents of the Root-Bark of Guettarda platypoda

Ilex argentina

1 reference

Triterpenes and saponins from Ilex psammophila

Ilex chinensis

1 reference

Polar constituents of Mosla Chinensis

Ilex excelsa

1 reference

Hypolipidemic Activity of Pedunculoside, A Constituent of Ilex doniana

Ilex rotunda

4 references

A dimeric sinapaldehyde glucoside from Ilex rotunda

Triterpenes from Ilex rotunda fruits

The Structure of Rotungenoside, a New Bitter Triterpene Glucoside fromIlex Rotunda

Triterpenes from Ilex rotunda fruits

Mussaenda macrophylla

2 references

Activity of triterpenoid glycosides from the root bark of Mussaenda macrophylla against two oral pathogens

Activity of triterpenoid glycosides from the root bark of Mussaenda macrophylla against two oral pathogens

Nauclea latifolia

1 reference

Nauclefolinine: A new alkaloid from the roots of Nauclea latifolia

Euscaphis japonica

2 references

Cytotoxic Hexacyclic Triterpene Acids from Euscaphis japonica

Cytotoxic Hexacyclic Triterpene Acids from Euscaphis japonica

Rhododendron brachycarpum

1 reference

Rhododendric acid A, a new ursane-type PTP1B inhibitor from the endangered plant Rhododendron brachycarpum G. Don

Planchonella duclitan

1 reference

Triterpene Acids from the Leaves ofPlanchonella Duclitan(Blanco) Bakhuizan

Glochidion zeylanicum

1 reference

Chemical constituents of the leaves of Glochidion obliquum and their bioactivity

Syringantha coulteri

1 reference

Diterpenoids from Salvia coulteri

Identifiers

InChI

InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1

1 reference

Rotundic acid (English)

7 October 2016

2 references

Rotundic acid (English)

7 October 2016

ChEBI release 2020-09-01

2 references

Rotundic acid (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=20137-37-5

8 April 2021

1 reference

Rotundic acid (English)

7 October 2016

2 references

Rotundic acid (English)

7 October 2016

ChEBI ID

70684

mapping relation type

2 references

Rotundic acid (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1

1 reference

ROTUNDIC ACID (English)

7 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references