(Q105328369)

English

(1R,2S,3S,5S,8R,9S,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,9,10,18-Tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

1 reference

based on heuristic

inferred from SMILES

mass

394.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3S,5S,8R,9R,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₁H₃₀O₇

0 references

canonical SMILES

O=C1C(=C)C2CC(O)C3C1(C2O)C4(O)OC(OC)C53CCCC(C)(C)C5C4O

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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](O)[C@@]3(O)O[C@@H]2OC

0 references

found in taxon

Isodon xerophilus

1 reference

stated in

Cytotoxic ent-kauranoids from the medicinal plant Isodon xerophilus

Isodon adenolomus

1 reference

stated in

Structure and cytotoxicity of diterpenoids from Isodon adenolomus

Identifiers

InChI

InChI=1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15+,16-,17-,19+,20-,21+/m0/s1

0 references

InChIKey

XHYABSFBWXRDOI-UGUQRHLISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105328369)

(1R,2S,3S,5S,8R,9S,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one

Statements

Identifiers

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