(Q105268618)

English

[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5-ethyl-6-methylhept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1C)C4CCC(C(C)CCC(C(=C)C)CC)C4(C)CC3)C

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isomeric SMILES

C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Goniophlebium niponicum

1 reference

stated in

Fern constituents: Cycloartane triterpenoids and allied compounds from Polypodium formosanum and P. niponicum

Identifiers

InChI

InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h12,21-22,24,26-30H,2,9-11,13-19H2,1,3-8H3/t21-,22+,24-,26-,27+,28+,29+,30+,31-,32+/m1/s1

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InChIKey

UACMKUJYWHZEHR-SIFWPXJPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105268618)

[(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Identifiers

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