(Q105382057)

English

[(1R,2S,3R,5S,6R,8R,9R,10S,11S,12R)-8,10-dihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.16,9.01,12.02,9.03,5]nonadecan-11-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,2S,3R,5S,8R,9R,10S,11S,12R)-8,10-dihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.1⁶,⁹.0¹,¹².0²,⁹.0³,⁵]nonadecan-11-yl acetate

1 reference

based on heuristic

inferred from SMILES

(8,10-Dihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.16,9.01,12.02,9.03,5]nonadecan-11-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C(OC1C2C(C)(C)CCCC32COC1(O)C45CC(C(=C)C4O)C6OC6C35)C

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isomeric SMILES

C=C1[C@H]2C[C@@]3([C@@H]([C@H]4O[C@@H]24)[C@]24CCCC(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1O

0 references

found in taxon

Isodon oresbius

1 reference

stated in

ent-Kaurene diterpenoids from Isodon oresbius.

Identifiers

InChI

InChI=1S/C22H30O6/c1-10-12-8-21(17(10)24)15(14-13(12)28-14)20-7-5-6-19(3,4)16(20)18(27-11(2)23)22(21,25)26-9-20/h12-18,24-25H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16-,17-,18+,20-,21-,22-/m1/s1

0 references

InChIKey

ZRKVMXWMNDIJCN-UAPGQZFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRKVMXWMNDIJCN-UAPGQZFXSA-N

(Q105382057)

[(1R,2S,3R,5S,6R,8R,9R,10S,11S,12R)-8,10-dihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.16,9.01,12.02,9.03,5]nonadecan-11-yl] acetate

Statements

Identifiers

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