(Q105219144)

English

[(1R,2S,3S,5S,8R,9S,10S,11R,18R)-3,9,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,9,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-10-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

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canonical SMILES

O=C(OC1C2C(C)(C)CCCC32COC1(O)C45C(=O)C(=C)C(CC(O)C34)C5O)C

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isomeric SMILES

C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](OC(C)=O)[C@@]3(O)OC2

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found in taxon

Isodon xerophilus

1 reference

stated in

Cytotoxic 7,20-epoxy ent-kauranoids from Isodon xerophilus

Identifiers

InChI

InChI=1S/C22H30O7/c1-10-12-8-13(24)14-20-7-5-6-19(3,4)15(20)18(29-11(2)23)22(27,28-9-20)21(14,16(10)25)17(12)26/h12-15,17-18,24,26-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22+/m0/s1

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InChIKey

QEEKWUGVLLUBQB-NGPIVHDLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEEKWUGVLLUBQB-NGPIVHDLSA-N

1 reference

(Q105219144)

[(1R,2S,3S,5S,8R,9S,10S,11R,18R)-3,9,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate

Statements

Identifiers

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