(Q105177858)

English

(5E)-1beta-(Benzoyloxy)-3abeta-acetoxy-2,3,3a,7,8,10,11,12,13,13aalpha-decahydro-2beta,5,8,8,12-pentamethyl-12alpha,13beta-epoxy-1H-cyclopentacyclododecene-4,9-dione

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) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

496.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₇

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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=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@@H]1O[C@@]1(C)CCC(=O)C(C)(C)C/C=C(\C)C2=O

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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/C29H36O7/c1-17-12-14-27(4,5)21(31)13-15-28(6)25(36-28)22-23(34-26(33)20-10-8-7-9-11-20)18(2)16-29(22,24(17)32)35-19(3)30/h7-12,18,22-23,25H,13-16H2,1-6H3/b17-12+/t18-,22+,23-,25-,28-,29+/m0/s1

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InChIKey

NEEHELCLXLVTMR-PHDAFOITSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NEEHELCLXLVTMR-PHDAFOITSA-N

1 reference

(Q105177858)

(5E)-1beta-(Benzoyloxy)-3abeta-acetoxy-2,3,3a,7,8,10,11,12,13,13aalpha-decahydro-2beta,5,8,8,12-pentamethyl-12alpha,13beta-epoxy-1H-cyclopentacyclododecene-4,9-dione

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Identifiers

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