(Q104920085)

English

(1S,2S,4R,6S,8R,13R)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,6,13-Trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,4S,6S,8R,13S)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4S,6S,8S,13R)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4R,6S,8R,13R)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

1 reference

based on heuristic

inferred from InChI

(1S,2S,4S,6R,8S,13R)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

1 reference

based on heuristic

inferred from InChI

(1R,2R,4S,6S,8R,13S)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C1C(=C(C)C)CCC2(OC3(OC(CC3C)CC4(OC14)C)CC2)C

0 references

isomeric SMILES

CC(C)=C1CC[C@]2(C)CC[C@]3(O[C@H](C[C@@H]3C)C[C@]3(C)O[C@H]3C1=O)O2

0 references

found in taxon

Plicanthus hirtellus

1 reference

stated in

Cembrane-type diterpenoids from the Chinese liverworts Chandonanthus hirtellus and C. birmensis

Identifiers

InChI

InChI=1S/C20H30O4/c1-12(2)15-6-7-18(4)8-9-20(24-18)13(3)10-14(22-20)11-19(5)17(23-19)16(15)21/h13-14,17H,6-11H2,1-5H3/t13-,14+,17-,18+,19-,20-/m0/s1

0 references

InChIKey

AWKFFPXZWYNPMR-SQJYZKEISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AWKFFPXZWYNPMR-SQJYZKEISA-N

1 reference

(Q104920085)

(1S,2S,4R,6S,8R,13R)-2,6,13-trimethyl-10-propan-2-ylidene-7,16,17-trioxatetracyclo[11.2.1.11,4.06,8]heptadecan-9-one

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