(Q27106432)

Diterpenoid SP-II (English)

(1R,4S,5S,9R,10R,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

5 October 2016

stereoisomer of

2 references

inferred from InChIKey

16beta,17-dihydroxy-ent-kaurane-19-oic acid

1 reference

(1S,4S,5S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

(1R,4R,5S,9S,10S,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

(1S,4S,5R,9S,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

chemical formula

C₂₀H₃₂O₄

1 reference

Diterpenoid SP-II (English)

5 October 2016

canonical SMILES

CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)C(=O)O

1 reference

Diterpenoid SP-II (English)

5 October 2016

isomeric SMILES

C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C(=O)O

1 reference

Four new ent-kaurane diterpenoids from the fruits of Annona cherimola

Diterpenoid SP-II (English)

5 October 2016

1 reference

Annona glabra

3 references

Bioactive kaurane diterpenoids from Annona glabra.

ent-kaurane diterpenoids from Annona glabra

Chemical Constituents fromAnnona Glabra

Annona squamosa

1 reference

New ent-kaurane diterpenoids with anti-platelet aggregation activity from Annona squamosa.

Helianthus debilis

1 reference

Ent-kauranes and other constituents of three Helianthus species

Helianthus occidentalis

1 reference

Ent-kauranes and other constituents of three Helianthus species

Helianthus petiolaris

1 reference

Ent-pimaranes, ent-kauranes, Heliangolides and other Constituents of three Helianthus species

Helianthus simulans

1 reference

Ent-kauranes and other constituents of three Helianthus species

Parinari sprucei

1 reference

Structure of kaurane-type diterpenes from Parinari sprucei and their potential anticancer activity.

Smallanthus sonchifolius

1 reference

A new hexenol glycoside from leaves of Smallanthus sonchifolius

Xylopia frutescens

1 reference

Frutoic acid, a dimeric kaurane diterpene from Xylopia frutescens

Ozothamnus diosmifolius

1 reference

The constituents of some Helichrysum species (family Compositae)

Helichrysum diosmifolium

1 reference

The constituents of some Helichrysum species (family Compositae)

Schoenia ramosissima

1 reference

The constituents of some Helichrysum species (family Compositae)

Identifiers

InChI

InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1

1 reference

Diterpenoid SP-II (English)

MRBLTWPEPGRXQN-INIPNLRTSA-N

5 October 2016

InChIKey

2 references

Diterpenoid SP-II (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

Diterpenoid SP-II (English)

5 October 2016

1 reference

(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16,17-Dihydroxykauran-18-oic acid (English)

5 October 2016

2 references

Diterpenoid SP-II (English)

matched by identifier from

5 October 2016

InChIKey

MRBLTWPEPGRXQN-INIPNLRTSA-N

ChEBI ID

4661

mapping relation type

2 references

Diterpenoid SP-II (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1

1 reference

2 references

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

matched by identifier from

InChIKey

MRBLTWPEPGRXQN-INIPNLRTSA-N

DSSTOX compound identifier

0 references

1 reference

Diterpenoid SP-II (English)

5 October 2016

1 reference

Diterpenoid SP-II (English)