(Q105006518)

English

[(1R,2S,4S,10E,13R,15S,16S)-13-acetyloxy-4,8,8,11,15-pentamethyl-7,12-dioxo-3-oxatricyclo[11.3.0.02,4]hexadec-10-en-16-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(13-Acetyloxy-4,8,8,11,15-pentamethyl-7,12-dioxo-3-oxatricyclo[11.3.0.02,4]hexadec-10-en-16-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

474.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₇

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canonical SMILES

O=C(OC1C(C)CC2(OC(=O)C)C(=O)C(=CCC(C(=O)CCC3(OC3C12)C)(C)C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/CC(C)(C)C(=O)CC[C@]3(C)O[C@H]3[C@@H]12

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found in taxon

Euphorbia characias

1 reference

stated in

Derivatives of characiol, macrocyclic diterpene esters of the jatrophane type from Euphorbia characias

Identifiers

InChI

InChI=1S/C27H38O7/c1-9-15(2)24(31)32-21-17(4)14-27(33-18(5)28)20(21)23-26(8,34-23)13-11-19(29)25(6,7)12-10-16(3)22(27)30/h9-10,17,20-21,23H,11-14H2,1-8H3/b15-9+,16-10+/t17-,20+,21-,23-,26-,27+/m0/s1

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InChIKey

GCVVCMZQTGIKSX-MDVFANKDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCVVCMZQTGIKSX-MDVFANKDSA-N

(Q105006518)

[(1R,2S,4S,10E,13R,15S,16S)-13-acetyloxy-4,8,8,11,15-pentamethyl-7,12-dioxo-3-oxatricyclo[11.3.0.02,4]hexadec-10-en-16-yl] (E)-2-methylbut-2-enoate

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Identifiers

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