(Q104397864)

English

[(1S,1'R,2'R,5R,6S,7R,9R)-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(3R,4a'R,5'S,7'R,9a'R)-2-Formyl-5'-hydroxy-3-methyl-8'-methylene-1',9'-dioxohexahydrospiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-3-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

(2'-Formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,1'R,2'R,5R,6S,7R,9S)-2'-Formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,1'R,2'R,5S,6S,7R,9S)-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=CC1C(C)(COC(=O)C)CCCC21COC(=O)C34C(=O)C(=C)C(CC(O)C32)C4

0 references

isomeric SMILES

C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O

0 references

found in taxon

Isodon trichocarpus

3 references

stated in

Terpenoids. LIII. Antitumor activity of trichorabdals and related compounds

stated in

Antibacterial trichorabdal diterpenes from Rabdosia trichocarpa

stated in

Terpenoids. LI. Structures of antitumor diterpenoids, trichorabdals A-E, isolated from Rabdosia trichocarpa.

Isodon enanderianus

1 reference

stated in

Diterpenoids from Isodon enanderianus

Isodon effusus

1 reference

stated in

Terpenoids from Rabdosia effusa HARA.

Identifiers

InChI

InChI=1S/C22H28O7/c1-12-14-7-15(25)17-21(11-29-19(27)22(17,8-14)18(12)26)6-4-5-20(3,16(21)9-23)10-28-13(2)24/h9,14-17,25H,1,4-8,10-11H2,2-3H3/t14-,15+,16+,17-,20-,21-,22-/m0/s1

0 references

InChIKey

BUJZGALXYNSLEB-JQHWLTTGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUJZGALXYNSLEB-JQHWLTTGSA-N

1 reference

(Q104397864)

[(1S,1'R,2'R,5R,6S,7R,9R)-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate

Statements

Identifiers

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