(Q104984453)

English

[(1S,1'S,3'R,4'S,5S,6S,9R)-3',4'-bis(hydroxymethyl)-4'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[3',4'-Bis(hydroxymethyl)-4'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

0 references

canonical SMILES

O=C(OC1CCC(C)(CO)C(CO)C21COC(=O)C34C(=O)C(=C)C(CCC32)C4)C

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@](C)(CO)[C@H]1CO

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found in taxon

Isodon longitubus

1 reference

stated in

Rabdokaurins C and D, Two New Diterpenes from Rabdosia longituba.

Identifiers

InChI

InChI=1S/C22H30O7/c1-12-14-4-5-15-21(8-14,18(12)26)19(27)28-11-22(15)16(9-23)20(3,10-24)7-6-17(22)29-13(2)25/h14-17,23-24H,1,4-11H2,2-3H3/t14-,15-,16-,17+,20-,21+,22+/m1/s1

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InChIKey

DLMCBELEVORZHL-IUUKJPRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLMCBELEVORZHL-IUUKJPRSSA-N

1 reference

(Q104984453)

[(1S,1'S,3'R,4'S,5S,6S,9R)-3',4'-bis(hydroxymethyl)-4'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate

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