(Q105359478)

English

[(1S,2R,3R,8R,11R,12R,15S,16R)-2,7,7,11,12-pentamethyl-15-[(2R)-2-methyl-5-oxooxolan-2-yl]-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,7,7,11,12-Pentamethyl-15-(2-methyl-5-oxooxolan-2-yl)-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

488.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,8R,11R,12R,15S,16R)-2,7,7,11,12-pentamethyl-15-[(2S)-2-methyl-5-oxooxolan-2-yl]-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,8R,11R,12R,15S,16S)-2,7,7,11,12-pentamethyl-15-[(2R)-2-methyl-5-oxooxolan-2-yl]-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate

1 reference

1 reference

C₂₉H₄₄O₆

0 references

canonical SMILES

O=C(OC1CC(=O)OC(C)(C)C2CCC3(C)C(CCC4C(CCC43C)C5(OC(=O)CC5)C)C12C)C

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isomeric SMILES

CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]([C@@]5(C)CCC(=O)O5)CC[C@]43C)[C@@]12C

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found in taxon

Cleome chrysantha

1 reference

stated in

A new trinortriterpenoid from Cleome chrysantha

Thulinella chrysantha

1 reference

stated in

A new trinortriterpenoid from Cleome chrysantha

Identifiers

InChI

InChI=1S/C29H44O6/c1-17(30)33-22-16-24(32)34-25(2,3)20-11-14-27(5)21(29(20,22)7)9-8-18-19(10-13-26(18,27)4)28(6)15-12-23(31)35-28/h18-22H,8-16H2,1-7H3/t18-,19+,20+,21+,22-,26-,27-,28-,29+/m1/s1

0 references

InChIKey

YRZWUYVBIAACPY-ZIEVFPPVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105359478)

[(1S,2R,3R,8R,11R,12R,15S,16R)-2,7,7,11,12-pentamethyl-15-[(2R)-2-methyl-5-oxooxolan-2-yl]-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate

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