(Q104988829)

English

(1S,5S,5'R,6S,9R,10R)-5'-(hydroxymethyl)-4',4',10-trimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2,11-trione

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

5'-(Hydroxymethyl)-4',4',10-trimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2,11-trione

1 reference

based on heuristic

inferred from SMILES

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,5S,5'R,6S,9R,10S)-5'-(hydroxymethyl)-4',4',10-trimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2,11-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C1OCC2(C(=O)C=CC(C)(C)C2CO)C3CCC4CC13C(=O)C4C

0 references

isomeric SMILES

C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1CO

0 references

Isodon eriocalyx

1 reference

Cytotoxic ent-kaurane diterpenoids from Isodon eriocalyx var. laxiflora

Identifiers

InChI=1S/C20H26O5/c1-11-12-4-5-13-19(8-12,16(11)23)17(24)25-10-20(13)14(9-21)18(2,3)7-6-15(20)22/h6-7,11-14,21H,4-5,8-10H2,1-3H3/t11-,12-,13-,14-,19+,20+/m1/s1

0 references

DTJFZUGVXLSARZ-OIOWRWDRSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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