[(1R,4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-4-oxo-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-1H-phenanthren-1-yl] acetate (Q105348223)

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chemical compound

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Language	Label	Description	Also known as
English	[(1R,4bS,8aS)-3-hydroxy-4b,8,8-trimethyl-4-oxo-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-1H-phenanthren-1-yl] acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(3-hydroxy-4b,8,8-trimethyl-4-oxo-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-1H-phenanthren-1-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

0 references

canonical SMILES

O=C1C(O)=C(C(OC(=O)C)C2=C1C3(C)CCCC(C)(C)C3CC2)C(C)C

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isomeric SMILES

CC(=O)O[C@@H]1C2=C(C(=O)C(O)=C1C(C)C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2

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found in taxon

Salvia phlomoides

1 reference

stated in

Salvifarin and salvifaricin, neo-clerodane diterpenoids from salvia farinacea

Identifiers

InChI

InChI=1S/C22H32O4/c1-12(2)16-18(24)19(25)17-14(20(16)26-13(3)23)8-9-15-21(4,5)10-7-11-22(15,17)6/h12,15,20,24H,7-11H2,1-6H3/t15-,20+,22-/m0/s1

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InChIKey

YGQBDNLXSFXWNB-GNSUPJDDSA-N

0 references

PubChem CID

162872613

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YGQBDNLXSFXWNB-GNSUPJDDSA-N

 

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