(Q104916729)

English

(1R,4S,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-Acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

Kaur-16-en-18-oic acid, 15-(acetyloxy)-, (4alpha,15beta)-

1 reference

based on heuristic

inferred from SMILES

mass

360.230059504 dalton

1 reference

1 reference

(1R,4R,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₄

0 references

canonical SMILES

O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)O)(C)C4CCC13C2)C

0 references

isomeric SMILES

C=C1[C@H](OC(C)=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3

0 references

found in taxon

Espeletia schultzii

1 reference

stated in

Cytotoxic and apoptosis-inducing effect of ent-15-oxo-kaur-16-en-19-oic acid, a derivative of grandiflorolic acid from Espeletia schultzii

Espeletiopsis guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Helianthus grosseserratus

1 reference

stated in

Sesquiterpene lactones from Helianthus grosseserratus

Mikania arrojadoi

1 reference

stated in

An epoxygermacranolide and further constituents from Mikania species

Wedelia hookeriana

1 reference

stated in

Eudesmanolides and kaurene derivatives from Wedelia hookeriana

Espeletia guacharaca

1 reference

stated in

Tricyclic sesquiterpenes and further diterpenes from Espeletiopsis species

Identifiers

InChI

InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21-,22-/m1/s1

0 references

InChIKey

AQBQBBLJTDSVLC-RVXFQSDISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AQBQBBLJTDSVLC-RVXFQSDISA-N

ChEBI ID

141147

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21-,22-/m1/s1

(Q104916729)

(1R,4S,5R,9S,10S,13R,15S)-15-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Statements

Identifiers

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