(Q105264511)

English

(2'S,4aS,7'S,9R,10aS)-6,15'-dihydroxy-7,13'-diisopropyl-1,1,2',4a,6',6'-hexamethyl-2,3,4,10a-tetrahydro-11'-oxaspiro[phenanthrene-9,10'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane]-1'(15'),9'(16'),12'-triene-5,8,8',10,14'-pentone

chemical compound

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instance of

type of chemical entity

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subclass of

6,15'-dihydroxy-7,13'-diisopropyl-1,1,2',4a,6',6'-hexamethyl-2,3,4,10a-tetrahydro-11'-oxaspiro[phenanthrene-9,10'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane]-1'(15'),9'(16'),12'-triene-5,8,8',10,14'-pentone

1 reference

based on heuristic

inferred from SMILES

mass

656.334918496 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2'S,4aS,7'S,9S,10aS)-6,15'-dihydroxy-7,13'-diisopropyl-1,1,2',4a,6',6'-hexamethyl-2,3,4,10a-tetrahydro-11'-oxaspiro[phenanthrene-9,10'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane]-1'(15'),9'(16'),12'-triene-5,8,8',10,14'-pentone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₈O₈

0 references

canonical SMILES

O=C1C(O)=C2C=3C(OC4(C(=O)C5C(C=6C(=O)C(O)=C(C(=O)C64)C(C)C)(C)CCCC5(C)C)C3C(=O)C7C2(C)CCCC7(C)C)=C1C(C)C

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isomeric SMILES

CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(OC3=C(C(C)C)C(=O)C(O)=C4C3=C1C(=O)[C@H]1C(C)(C)CCC[C@]41C)C(=O)[C@H]1C(C)(C)CCC[C@]21C

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found in taxon

Plectranthus grandidentatus

2 references

stated in

Q104939251

stated in

Abietane diterpenoids from Plectranthus grandidentatus

Coleus grandidentatus

2 references

stated in

Abietane diterpenoids from Plectranthus grandidentatus

stated in

Q104939251

Identifiers

InChI

InChI=1S/C40H48O8/c1-17(2)19-26(41)25-24(30(45)27(19)42)39(10)16-12-14-37(7,8)34(39)35(47)40(25)23-21-22(29(44)28(43)20(18(3)4)32(21)48-40)38(9)15-11-13-36(5,6)33(38)31(23)46/h17-18,33-34,42,44H,11-16H2,1-10H3/t33-,34-,38+,39+,40+/m0/s1

(Q105264511)

(2'S,4aS,7'S,9R,10aS)-6,15'-dihydroxy-7,13'-diisopropyl-1,1,2',4a,6',6'-hexamethyl-2,3,4,10a-tetrahydro-11'-oxaspiro[phenanthrene-9,10'-tetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane]-1'(15'),9'(16'),12'-triene-5,8,8',10,14'-pentone

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