(Q104965554)

English

(1R,3S,5R,7R,9R,11S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(1S,3S,5R,7R,9S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-en-1-yl)tetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione

1 reference

based on heuristic

inferred from SMILES

9-Benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

1 reference

based on heuristic

inferred from SMILES

mass

518.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3S,5R,7R,9S,11S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,5R,7R,9R,11S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,5S,7S,9R,11S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₃₃H₄₂O₅

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C(=O)C5(C2=O)CC(C(O)(C)C)C(C)(C)C5CC(C4)C3(C)C)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C

0 references

found in taxon

Hypericum henryi

1 reference

stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C33H42O5/c1-19(2)14-15-31-17-21-16-22-28(3,4)23(30(7,8)38)18-32(22,25(31)35)27(37)33(26(31)36,29(21,5)6)24(34)20-12-10-9-11-13-20/h9-14,21-23,38H,15-18H2,1-8H3/t21-,22-,23+,31+,32-,33+/m1/s1

0 references

InChIKey

CNBLYOSJTGEQDF-FWGDSQFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNBLYOSJTGEQDF-FWGDSQFXSA-N

1 reference

(Q104965554)

(1R,3S,5R,7R,9R,11S)-9-benzoyl-3-(2-hydroxypropan-2-yl)-4,4,8,8-tetramethyl-11-(3-methylbut-2-enyl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

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