(Q105111526)

English

(1R,4S,5R,8R,10S,13S,14R,19S,20S)-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-10-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

19-Hydroxy-4,5,9,9,13,19,20-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

1 reference

based on heuristic

inferred from SMILES

mass

600.366218624 dalton

1 reference

1 reference

C₃₅H₅₂O₈

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canonical SMILES

O=C1OC2(C)CCC13C(=C4C=CC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC3)C2(O)C

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isomeric SMILES

CC1(C)[C@@H](O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=CC2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4

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found in taxon

Ilex kaushue

1 reference

stated in

Triterpenes and triterpenoid glycosides from the leaves of Ilex kudincha

Identifiers

InChI

InChI=1S/C35H52O8/c1-29(2)21-10-13-32(5)22(30(21,3)12-11-23(29)42-27-25(38)24(37)20(36)18-41-27)9-8-19-26-34(7,40)33(6)15-17-35(26,28(39)43-33)16-14-31(19,32)4/h8-9,20-25,27,36-38,40H,10-18H2,1-7H3/t20-,21-,22+,23-,24-,25+,27+,30-,31+,32+,33-,34-,35+/m0/s1

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InChIKey

IDTOPFLVXUKSME-UCPIHNNQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDTOPFLVXUKSME-UCPIHNNQSA-N

(Q105111526)

(1R,4S,5R,8R,10S,13S,14R,19S,20S)-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-10-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

Statements

Identifiers

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