(Q105386973)

English

(1R,3S,7S,10R,15R,17R,18S,21S,22R,23S,25R,29R)-18,23-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]nonacos-12-ene-5,14,19,24-tetrone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

18,23-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]nonacos-12-ene-5,14,19,24-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

558.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₁

0 references

canonical SMILES

O=C1OC23CC45OC6(OC7C(OC(=O)C7(O)C)C8C6C(C(=O)C8(O)C)(C)CC4)C(=O)C5=CCC3C(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]7OC(=O)[C@@](C)(O)[C@@H]7O[C@](O2)(C(=O)C4=CC[C@H]13)[C@H]65

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found in taxon

Schisandra rubriflora

1 reference

stated in

Chemical constituents from the leaves and stems of Schisandra rubriflora

Identifiers

InChI

InChI=1S/C29H34O11/c1-23(2)13-7-6-12-19(31)29-18-16(17-20(39-29)26(5,35)22(33)36-17)25(4,34)21(32)24(18,3)8-9-27(12,40-29)11-28(13)14(37-23)10-15(30)38-28/h6,13-14,16-18,20,34-35H,7-11H2,1-5H3/t13-,14+,16+,17+,18-,20-,24-,25+,26+,27-,28+,29-/m1/s1

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InChIKey

ZZPMADXAHXHKCG-OZAZLXSXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105386973)

(1R,3S,7S,10R,15R,17R,18S,21S,22R,23S,25R,29R)-18,23-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]nonacos-12-ene-5,14,19,24-tetrone

Statements

Identifiers

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