(Q104989385)

English

[(6R)-2-methyl-3-methylidene-6-[(1R,3R,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptyl] acetate

group of stereoisomers with the chemical formula C₃₃H₅₂O₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

24-methylcycloartane steroid

1 reference

inferred from

24-methylcycloartane steroid

mass

496.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₃

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canonical SMILES

O=C(OCC(C(=C)CCC(C)C1CCC2(C)C3CCC4C(C(=O)CCC54CC35CCC12C)(C)C)C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)C(C)COC(C)=O

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found in taxon

Trichilia claussenii

1 reference

stated in

A cycloartane triterpenoid and ω-phenyl alkanoic and alkenoic acids from Trichilia claussenii

Identifiers

InChI

InChI=1S/C33H52O3/c1-21(23(3)19-36-24(4)34)9-10-22(2)25-13-15-31(8)27-12-11-26-29(5,6)28(35)14-16-32(26)20-33(27,32)18-17-30(25,31)7/h22-23,25-27H,1,9-20H2,2-8H3/t22-,23?,25-,26?,27?,30-,31+,32-,33-/m1/s1

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InChIKey

DURQHBVGHHDPCG-PNGLFDDVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DURQHBVGHHDPCG-PNGLFDDVSA-N

(Q104989385)

[(6R)-2-methyl-3-methylidene-6-[(1R,3R,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptyl] acetate

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Identifiers

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