(Q105021496)

English

(1R,4E,4aS,7E,11aR)-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aS,11aR)-4-(4-hydroxy-4-methylpent-2-enylidene)-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4Z,7E)-4-[(2E)-4-Methyl-4-hydroxy-2-pentenylidene]-7-methyl-11-methylene-1,3,4,4aalpha,5,6,9,10,11,11abeta-decahydrocyclonona[c]pyran-1beta-ol

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₃₀O₃

0 references

canonical SMILES

OC1OCC(=CC=CC(O)(C)C)C2CCC(=CCCC(=C)C12)C

0 references

isomeric SMILES

C=C1CC/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)CO[C@@H](O)[C@@H]12

0 references

found in taxon

Xenia florida

1 reference

stated in

Xenicane-type diterpenes with cytotoxicity from Xenia florida

Xenia danae

1 reference

stated in

Xenicane-type diterpenes with cytotoxicity from Xenia florida

Identifiers

InChI

InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,16-9-/t17-,18+,19-/m1/s1

0 references

InChIKey

GVOYGZRFVYIDGT-CNEFNWARSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVOYGZRFVYIDGT-CNEFNWARSA-N

(Q105021496)

(1R,4E,4aS,7E,11aR)-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-1-ol

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