(Q105011547)

English

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

0 references

subclass of

chemical compound

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mass

576.220676592 dalton

1 reference

1 reference

C₂₉H₃₆O₁₂

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canonical SMILES

O=C1OC23CC45OC6(OC7C(C(=O)OC7C8(O)C6C(C(=O)C8(O)C)(C)CC4)C)C(=O)C5C(O)CC3C(OC2C1)(C)C

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isomeric SMILES

C[C@H]1C(=O)O[C@@H]2[C@H]1O[C@@]13O[C@]4(CC[C@@]5(C)C(=O)[C@@](C)(O)[C@]2(O)[C@H]51)C[C@@]12OC(=O)C[C@@H]1OC(C)(C)[C@H]2C[C@@H](O)[C@@H]4C3=O

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found in taxon

Schisandra micrantha

1 reference

stated in

Micrandilactone A: a novel triterpene from Schisandra micrantha

Schisandra rubriflora

2 references

stated in

Isolation and Structure Elucidation of Nortriterpenoids fromSchisandra rubriflora

stated in

Chemical constituents from the leaves and stems of Schisandra rubriflora

Identifiers

InChI

InChI=1S/C29H36O12/c1-11-17-19(37-20(11)33)28(36)21-24(4,22(34)25(28,5)35)6-7-26-10-27-13(23(2,3)38-14(27)9-15(31)39-27)8-12(30)16(26)18(32)29(21,40-17)41-26/h11-14,16-17,19,21,30,35-36H,6-10H2,1-5H3/t11-,12-,13-,14+,16-,17+,19-,21+,24-,25-,26-,27+,28-,29+/m1/s1

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InChIKey

GMAMWSYYSPPHAF-FDWDYJCWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GMAMWSYYSPPHAF-FDWDYJCWSA-N

(Q105011547)

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