(Q104944255)

English

[(2'S,4aS,6R,7R,9S,10S,10aS)-6,10-dihydroxy-2',4a-dimethyl-1,2-dimethylidene-5,8-dioxospiro[3,4,6,9,10,10a-hexahydrophenanthrene-7,1'-cyclopropane]-9-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(6,10-Dihydroxy-2',4a-dimethyl-1,2-dimethylidene-5,8-dioxospiro[3,4,6,9,10,10a-hexahydrophenanthrene-7,1'-cyclopropane]-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

386.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2'S,4aS,6R,7S,9S,10S,10aS)-6,10-dihydroxy-2',4a-dimethyl-1,2-dimethylidene-5,8-dioxospiro[3,4,6,9,10,10a-hexahydrophenanthrene-7,1'-cyclopropane]-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₆

0 references

canonical SMILES

O=C(OC1C=2C(=O)C3(CC3C)C(O)C(=O)C2C4(C)CCC(=C)C(=C)C4C1O)C

0 references

isomeric SMILES

C=C1CC[C@]2(C)C3=C(C(=O)[C@@]4(C[C@@H]4C)[C@@H](O)C3=O)[C@H](OC(C)=O)[C@@H](O)[C@H]2C1=C

0 references

found in taxon

Plectranthus garckeanus

1 reference

stated in

Strukturen von 13 Diterpenen (Coleonen) aus Blattdrüsen vonSolenostemon sylvaticusundColeus garckeanus (Labiatae)

Identifiers

InChI

InChI=1S/C22H26O6/c1-9-6-7-21(5)14(11(9)3)16(24)18(28-12(4)23)13-15(21)17(25)20(27)22(19(13)26)8-10(22)2/h10,14,16,18,20,24,27H,1,3,6-8H2,2,4-5H3/t10-,14+,16-,18-,20-,21-,22-/m0/s1

0 references

InChIKey

BQBPQUHGQNQEEU-HIJRYFSGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQBPQUHGQNQEEU-HIJRYFSGSA-N

(Q104944255)

[(2'S,4aS,6R,7R,9S,10S,10aS)-6,10-dihydroxy-2',4a-dimethyl-1,2-dimethylidene-5,8-dioxospiro[3,4,6,9,10,10a-hexahydrophenanthrene-7,1'-cyclopropane]-9-yl] acetate

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Identifiers

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