(Q105177859)

English

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

group of stereoisomers with the chemical formula C₂₉H₃₆O₇

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Statements

group of stereoisomers

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jatrophane diterpenoid

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jatrophane diterpenoid

496.2461034919998 dalton

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based on heuristic

inferred from InChI

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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Identifiers

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

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NEEHELCLXLVTMR-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NEEHELCLXLVTMR-UHFFFAOYSA-N

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