(Q107559855)

English

parryin

chemical compound

(3R,3aS,6aS,10aS,10bR)-3-ethenyldodecahydro-10b-hydroxy-3,7,7,10a-tetramethylbenz[e]azulen-4(1H)-one

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Statements

type of chemical entity

0 references

3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

chemical structure

Parryin.svg
418 × 338; 13 KB

0 references

304.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aS,6aS,10aS,10bR)-3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₂

0 references

canonical SMILES

O=C1CCC2C(C)(C)CCCC2(C)C3(O)CCC(C=C)(C)C13

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isomeric SMILES

O[C@@]12[C@]3(C)[C@](C(C)(C)CCC3)(CCC(=O)[C@]1([C@](C=C)(C)CC2)[H])[H]

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Identifiers

InChI=1S/C20H32O2/c1-6-18(4)12-13-20(22)16(18)14(21)8-9-15-17(2,3)10-7-11-19(15,20)5/h6,15-16,22H,1,7-13H2,2-5H3/t15-,16-,18-,19-,20+/m0/s1

1 reference

based on heuristic

inferred from SMILES

VYYJKKMWUSVWTL-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

VYYJKKMWUSVWTL-UHFFFAOYSA-N

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