(Q105147572)

English

(16-Acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl) benzoate

group of stereoisomers with the chemical formula C₂₉H₃₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

lathyrane diterpenoid

1 reference

inferred from

lathyrane diterpenoid

mass

480.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₆

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canonical SMILES

O=C(OC12C(=O)C(=CC3C(CCC4(OC4C2C(OC(=O)C)C(C)C1)C)C3(C)C)C)C=5C=CC=CC5

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Identifiers

InChI

InChI=1S/C29H36O6/c1-16-14-21-20(27(21,4)5)12-13-28(6)25(34-28)22-23(33-18(3)30)17(2)15-29(22,24(16)31)35-26(32)19-10-8-7-9-11-19/h7-11,14,17,20-23,25H,12-13,15H2,1-6H3

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InChIKey

KXWUYCUPBXTAIE-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXWUYCUPBXTAIE-UHFFFAOYSA-N

(Q105147572)

(16-Acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl) benzoate

Statements

Identifiers

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