(Q104396264)

English

(1S,4S,9R,10S,12R,13R)-13-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

13-Hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

ent-13S-hydroxy-16-atisene-3,14-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4R,9R,10R,12R,13S)-13-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC34C(=O)C(O)C(C(=C)C3)CC42)C1(C)C

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isomeric SMILES

C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2C[C@H]1[C@@H](O)C3=O

0 references

found in taxon

Euphorbia neriifolia

1 reference

stated in

Diterpenes from Euphorbia neriifolia

Euphorbia antiquorum

1 reference

stated in

A diterpene from Euphorbia antiquorum

Identifiers

InChI

InChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)9-12(11)16(22)17(20)23/h12-14,16,22H,1,5-10H2,2-4H3/t12-,13-,14+,16-,19-,20+/m1/s1

0 references

InChIKey

UQKJSKXVMBIKGF-UFNKKUDUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UQKJSKXVMBIKGF-UFNKKUDUSA-N

(Q104396264)

(1S,4S,9R,10S,12R,13R)-13-hydroxy-5,5,9-trimethyl-16-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-6,14-dione

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Identifiers

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