(Q105233108)

English

(1S,3R,7R,10S,12S,13R,15S,17S,18R,21R,22S,23R,25S,29S)-12,18-dihydroxy-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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instance of

type of chemical entity

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subclass of

12,18-Dihydroxy-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

(3R,7R,10S,12S,13R,15S,17S,18R,21R,22S,23R,25S,29S)-12,18-dihydroxy-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

560.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Wilsonianadilactone B

2 references

based on heuristic

inferred from InChIKey

1 reference

(1R,3S,7S,10R,12R,13S,15R,17R,18S,21S,22R,23S,25R,29R)-12,18-dihydroxy-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 InChI

(1S,3R,7R,10S,12S,13R,15R,17S,18R,21R,22S,23S,25S,29S)-12,18-dihydroxy-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 InChI

chemical formula

C₂₉H₃₆O₁₁

0 references

canonical SMILES

O=C1OC23CC45OC6(OC7C(OC(=O)C7(O)C)C8C(C(=O)C(C)(CC4)C86)C)C(=O)C5C(O)CC3C(OC2C1)(C)C

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isomeric SMILES

C[C@H]1C(=O)[C@@]2(C)CC[C@]34C[C@]56OC(=O)C[C@H]5OC(C)(C)[C@@H]6C[C@H](O)[C@H]3C(=O)[C@@]3(O[C@H]5[C@H](OC(=O)[C@]5(C)O)[C@@H]1[C@@H]23)O4

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found in taxon

Schisandra lancifolia

2 references

stated in

Nortriterpenoids from Schisandra lancifolia

stated in

Nortriterpenoids from Schisandra lancifolia

Identifiers

InChI

InChI=1S/C29H36O11/c1-11-16-18-22(26(5,35)23(34)36-18)39-29-19(16)25(4,20(11)32)6-7-27(40-29)10-28-13(8-12(30)17(27)21(29)33)24(2,3)37-14(28)9-15(31)38-28/h11-14,16-19,22,30,35H,6-10H2,1-5H3/t11-,12+,13+,14-,16-,17+,18-,19+,22+,25+,26-,27+,28-,29+/m1/s1

0 references

InChIKey

RBGYXAFWYMVSEF-CWXFUPFGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RBGYXAFWYMVSEF-CWXFUPFGSA-N

(Q105233108)

(1S,3R,7R,10S,12S,13R,15S,17S,18R,21R,22S,23R,25S,29S)-12,18-dihydroxy-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

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