(Q115949779)

English

[(1S,4R,5R,9S,10S,12R,15S)-9,15-diacetyloxy-4-hydroxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₈H₃₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

516.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₉

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canonical SMILES

O=C(OC1C(O)C2=CC34OC4(C(=O)C(C)C2(OC(=O)C)C5C1C5(C)C)CC(C)C3OC(=O)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C2C(C2(C)C)[C@@]2(OC(C)=O)C(=C[C@@]34O[C@@]3(CC(C)[C@@H]4OC(C)=O)C(=O)[C@H]2C)[C@H]1O

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found in taxon

Euphorbia royleana

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stated in

Macrocyclic diterpene esters from Euphorbia royleana

Identifiers

InChI

InChI=1S/C28H36O9/c1-9-12(2)24(33)35-20-18-21(25(18,7)8)28(36-16(6)30)14(4)22(32)26-10-13(3)23(34-15(5)29)27(26,37-26)11-17(28)19(20)31/h9,11,13-14,18-21,23,31H,10H2,1-8H3/b12-9+/t13?,14-,18?,19-,20-,21?,23+,26+,27+,28+/m1/s1

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InChIKey

LRKGHWPPAFAVHA-ZAXIKIAGSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

LRKGHWPPAFAVHA-ZAXIKIAGSA-N

(Q115949779)

[(1S,4R,5R,9S,10S,12R,15S)-9,15-diacetyloxy-4-hydroxy-7,7,10,14-tetramethyl-11-oxo-16-oxapentacyclo[10.3.1.01,12.03,9.06,8]hexadec-2-en-5-yl] (E)-2-methylbut-2-enoate

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Identifiers

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