(Q105024424)

English

(1S,4S,5R,9R,10R,13R,15S)-10-hydroxy-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

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-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

mass

464.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₅

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canonical SMILES

O=C(OC1C(=C)C2CCC3(O)C4(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)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3

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found in taxon

Mikania sessilifolia

1 reference

stated in

Diterpenes from Mikania species

Identifiers

InChI

InChI=1S/C29H36O5/c1-19-21-12-17-29(33)27(3)15-7-14-26(2,25(31)32)22(27)13-16-28(29,18-21)24(19)34-23(30)11-10-20-8-5-4-6-9-20/h4-6,8-11,21-22,24,33H,1,7,12-18H2,2-3H3,(H,31,32)/b11-10+/t21-,22-,24+,26-,27-,28+,29-/m1/s1

0 references

InChIKey

GZKHYVJXWLTZOY-PEFGBDITSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GZKHYVJXWLTZOY-PEFGBDITSA-N

(Q105024424)

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

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Identifiers

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