(Q105137104)

English

(1R,4S,5R,9S,10R,13R,15S)-5,9-dimethyl-14-methylidene-15-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

5,9-Dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

448.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

15alpha-(Cinnamoyloxy)kaur-16-en-18-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₄

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canonical SMILES

O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)O)(C)C4CCC13C2)C=CC=5C=CC=CC5

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isomeric SMILES

C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3

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Mikania luetzelburgii

1 reference

Diterpenes from Mikania species

Mikania sessilifolia

1 reference

Diterpenes from Mikania species

Identifiers

InChI=1S/C29H36O4/c1-19-21-11-12-23-27(2)15-7-16-28(3,26(31)32)22(27)14-17-29(23,18-21)25(19)33-24(30)13-10-20-8-5-4-6-9-20/h4-6,8-10,13,21-23,25H,1,7,11-12,14-18H2,2-3H3,(H,31,32)/b13-10+/t21-,22+,23-,25+,27-,28-,29-/m1/s1

0 references

JYMRFFRJCMWZHS-SLTIYKRJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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