(Q105219292)

English

[(1S,3R,6R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7,7,12,16-tetramethyl-15-[1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-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

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canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CC6OC(=O)C(C)C6)C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]5C[C@@H](C)C(=O)O5)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

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found in taxon

Abies pinsapo subsp. marocana

1 reference

stated in

Terpenoids of the wood of Abies marocana

Identifiers

InChI

InChI=1S/C32H50O4/c1-19(16-22-17-20(2)27(34)36-22)23-10-12-30(7)25-9-8-24-28(4,5)26(35-21(3)33)11-13-31(24)18-32(25,31)15-14-29(23,30)6/h19-20,22-26H,8-18H2,1-7H3/t19-,20-,22-,23-,24+,25+,26-,29-,30+,31-,32+/m1/s1

0 references

InChIKey

QEMIUYHLZNNZQN-BVQMRMECSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEMIUYHLZNNZQN-BVQMRMECSA-N

(Q105219292)

[(1S,3R,6R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-1-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]propan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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Identifiers

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