(Q105350722)

English

(1S,3R,7R,10S,12S,13R,15S,17S,18R,21R,22S,23R,25S,29S)-12,18,23-trihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12,18,23-Trihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

576.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₂

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canonical SMILES

O=C1OC23CC45OC6(OC7C(OC(=O)C7(O)C)C8C6C(C(=O)C8(O)C)(C)CC4)C(=O)C5C(O)CC3C(OC2C1)(C)C

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isomeric SMILES

CC1(C)O[C@@H]2CC(=O)O[C@@]23C[C@]24CC[C@]5(C)C(=O)[C@](C)(O)[C@H]6[C@@H]5[C@](O[C@H]5[C@@H]6OC(=O)[C@]5(C)O)(O2)C(=O)[C@@H]4[C@@H](O)C[C@@H]13

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found in taxon

Schisandra lancifolia

1 reference

stated in

Chemical constituents from the leaves and stems of Schisandra lancifolia

Identifiers

InChI

InChI=1S/C29H36O12/c1-23(2)12-8-11(30)15-19(32)29-18-16(17-20(40-29)26(5,36)22(34)37-17)25(4,35)21(33)24(18,3)6-7-27(15,41-29)10-28(12)13(38-23)9-14(31)39-28/h11-13,15-18,20,30,35-36H,6-10H2,1-5H3/t11-,12-,13+,15-,16+,17+,18-,20-,24-,25+,26+,27-,28+,29-/m0/s1

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InChIKey

YMTDGVZPUJIFOG-YPQFTLRRSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105350722)

(1S,3R,7R,10S,12S,13R,15S,17S,18R,21R,22S,23R,25S,29S)-12,18,23-trihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone

Statements

Identifiers

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