(Q105279253)

English

(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl (2E,4E,6E)-deca-2,4,6-trienoate

chemical compound

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instance of

type of chemical entity

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subclass of

13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl deca-2,4,6-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

554.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,6R,10S,11S,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E,6E)-deca-2,4,6-trienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₈

0 references

canonical SMILES

O=C(OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(=CC32)C)C4C1(OC(=O)C)C4(C)C)C=CC=CC=CCCC

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isomeric SMILES

CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O

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found in taxon

Aquilaria malaccensis

1 reference

stated in

Plant Anticancer Agents. XIX. Constituents of Aquilaria malaccensis

Identifiers

InChI

InChI=1S/C32H42O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h9-16,20,23-24,26,28,33,37-38H,7-8,17-18H2,1-6H3/b10-9+,12-11+,14-13+/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1

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InChIKey

UUDRJPRIBMGADE-YNOQIDMFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

UUDRJPRIBMGADE-YNOQIDMFSA-N

(Q105279253)

(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl (2E,4E,6E)-deca-2,4,6-trienoate

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