(Q105375270)

English

(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-dihydroxy-9,9,18,20-tetramethyl-17-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane-5,14,19-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12,15-dihydroxy-9,9,18,20-tetramethyl-17-(4-methyl-5-oxo-2H-furan-2-yl)-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane-5,14,19-trione

1 reference

based on heuristic

inferred from SMILES

mass

544.230847352 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₁₀

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canonical SMILES

O=C1OC(C=C1C)C2C(C(=O)C3(C)CCC45OC(O)(C(=O)C5C(O)CC6C(OC7CC(=O)OC76C4)(C)C)C23)C

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isomeric SMILES

CC1=C[C@H]([C@H]2[C@H](C)C(=O)[C@@]3(C)CC[C@]45C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@H](O)[C@H]4C(=O)[C@@](O)(O5)[C@@H]23)OC1=O

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found in taxon

Schisandra lancifolia

1 reference

stated in

Nortriterpenoids from Schisandra lancifolia

Identifiers

InChI

InChI=1S/C29H36O10/c1-12-8-15(36-24(12)34)19-13(2)22(32)26(5)6-7-27-11-28-16(25(3,4)37-17(28)10-18(31)38-28)9-14(30)20(27)23(33)29(35,39-27)21(19)26/h8,13-17,19-21,30,35H,6-7,9-11H2,1-5H3/t13-,14-,15+,16-,17+,19+,20-,21-,26-,27-,28+,29-/m0/s1

0 references

InChIKey

ZGKJDYYLPOZZOD-HOINKWQSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105375270)

(1S,3R,7R,10S,12S,13R,15S,16S,17S,18S,20S)-12,15-dihydroxy-9,9,18,20-tetramethyl-17-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricosane-5,14,19-trione

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