(Q105213070)

English

[(1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

498.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC45OC(=O)C6(CCC(C)(C)CC64)CCC53C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)C1(C)C

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found in taxon

Salvia lanigera

1 reference

stated in

Terpenoids from Salvia lanigera

Identifiers

InChI

InChI=1S/C32H50O4/c1-20(33)35-24-11-12-28(6)21(27(24,4)5)9-13-29(7)22(28)10-14-32-23-19-26(2,3)15-17-31(23,25(34)36-32)18-16-30(29,32)8/h21-24H,9-19H2,1-8H3/t21-,22+,23+,24-,28-,29+,30-,31-,32-/m0/s1

0 references

InChIKey

PPVVIIIMYQXETH-GABPFWJWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PPVVIIIMYQXETH-GABPFWJWSA-N

1 reference

(Q105213070)

[(1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate

Statements

Identifiers

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