(Q105329746)

English

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2R)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C(C(=C)CCC5OC5(C)C)CCC43C)C1(C)C)C

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isomeric SMILES

C=C(CC[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Camellia japonica

1 reference

stated in

Triterpene alcohols from camellia and sasanqua oils and their anti-inflammatory effects

Camellia oleifera

1 reference

stated in

Triterpene alcohols from camellia and sasanqua oils and their anti-inflammatory effects

Camellia sasanqua

1 reference

stated in

Triterpene alcohols from camellia and sasanqua oils and their anti-inflammatory effects

Identifiers

InChI

InChI=1S/C32H52O3/c1-20(10-13-27-29(5,6)35-27)22-14-18-31(8)23(22)11-12-25-30(7)17-16-26(34-21(2)33)28(3,4)24(30)15-19-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23-,24+,25-,26+,27-,30+,31-,32-/m1/s1

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InChIKey

XKWUSRDPCNKMFH-XRYWHACNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XKWUSRDPCNKMFH-XRYWHACNSA-N

1 reference

(Q105329746)

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[4-[(2R)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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