(Q105325731)

English

(1S,4R,6S,8S,9S,12S,13S,16R,17S)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1S,4R,6R,8R,9S,12R,13S,16R)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,6S,8R,9R,12S,13S,16R,17R)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C1OC2CC(O)C(C)(C)C3C(O)OCC23C4CCC5CC14C(=O)C5C

0 references

isomeric SMILES

C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@H](O)[C@H]1C(C)(C)[C@@H](O)C[C@H]2OC3=O

0 references

found in taxon

Isodon japonicus

1 reference

stated in

Enmein type diterpenoids from Isodon japonica

Identifiers

InChI

InChI=1S/C20H28O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h9-14,16,21,23H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,14-,16-,19-,20+/m0/s1

0 references

InChIKey

XDIFXKVLMXAILB-YFHUHDCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XDIFXKVLMXAILB-YFHUHDCUSA-N

(Q105325731)

(1S,4R,6S,8S,9S,12S,13S,16R,17S)-6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

Statements

Identifiers

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