(Q104251802)

English

(1R,4S,5R,9S,10R,13S)-13-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₅₀O₁₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

642.3251416599999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₀O₁₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(=C)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)(CCC32)C4

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isomeric SMILES

C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O[C@@H]1OC(CO)C(O)C(O)C1O[C@@H]1OC(CO)C(O)C(O)C1O)C3

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found in taxon

candyleaf

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stated in

Naturally Occurring Phorbol Esters

Pulicaria incisa

1 reference

stated in

Further constituents from Taraxacum officinale

Identifiers

InChI

InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16?,17?,18-,19-,20?,21?,22?,23?,24?,25?,26-,27-,29+,30+,31+,32-/m0/s1

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InChIKey

OMHUCGDTACNQEX-ICNNUHDTSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104251802)

(1R,4S,5R,9S,10R,13S)-13-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Statements

Identifiers

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