(Q105276436)

English

[(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Dihydroclionasterol acetate

1 reference

based on heuristic

inferred from SMILES

mass

458.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5S,8R,9R,10R,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₄O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32)C1)C

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isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Litsea sericea

1 reference

stated in

24-Methylene-25-methylcycloartanol and 24α-ethyl-5α-cholestan-3α-ol from Neolitsea sericea

Neolitsea sericea

1 reference

stated in

24-Methylene-25-methylcycloartanol and 24α-ethyl-5α-cholestan-3α-ol from Neolitsea sericea

Identifiers

InChI

InChI=1S/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3/t21-,23+,24+,25-,26+,27-,28+,29+,30+,31-/m1/s1

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InChIKey

UOLJGJFAVGOXAH-QXOGGOCVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

UOLJGJFAVGOXAH-QXOGGOCVSA-N

1 reference

(Q105276436)

[(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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