(Q104967354)

English

(1R,4R,5R,8S,10R,11R,13R,14R,17R,18R,19R)-11-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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type of chemical entity

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subclass of

(11-Hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

618.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,5R,8R,10R,11R,13R,14R,17R,18S,19R)-11-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₆

0 references

canonical SMILES

O=C(OC1C(O)CC2(C)C(CCC3(C)C2CCC4C5C6OC(=O)C5(CCC6(C)C)CCC43C)C1(C)C)C=CC7=CC=C(O)C=C7

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isomeric SMILES

CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@H](OC(=O)/C=C/c7ccc(O)cc7)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O

0 references

found in taxon

Diospyros virginiana

1 reference

stated in

Coumaroyl triterpene lactone, phenolic and naphthalene glycoside from stem bark of Diospyros angustifolia

Identifiers

InChI

InChI=1S/C39H54O6/c1-34(2)18-20-39-21-19-37(6)25(30(39)32(34)45-33(39)43)13-14-28-36(5)22-26(41)31(35(3,4)27(36)16-17-38(28,37)7)44-29(42)15-10-23-8-11-24(40)12-9-23/h8-12,15,25-28,30-32,40-41H,13-14,16-22H2,1-7H3/b15-10+/t25-,26-,27-,28-,30+,31+,32-,36+,37-,38-,39+/m1/s1

(Q104967354)

(1R,4R,5R,8S,10R,11R,13R,14R,17R,18R,19R)-11-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

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