(Q105007071)

English

[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S,14S)-3,6,7-triacetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,6,7-Triacetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

566.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₁₁

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canonical SMILES

O=C(OC1CC2(C)C3C(OC(=O)C)CC4CC3(C(=O)C4COC)C(O)C(OC(=O)C)C2C(C)(C)C1OC(=O)C)C

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isomeric SMILES

COC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3O

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found in taxon

Isodon angustifolius

2 references

stated in

Glabcensin V–Y, four ent-kaurane diterpenoids from Isodon angustifolius var. Glabrescens

stated in

ent-Kaurane Diterpenoids fromIsodon angustifoliusvar. glabresecens

Identifiers

InChI

InChI=1S/C29H42O11/c1-13(30)37-19-9-17-10-29(24(34)18(17)12-36-8)22(19)28(7)11-20(38-14(2)31)26(40-16(4)33)27(5,6)23(28)21(25(29)35)39-15(3)32/h17-23,25-26,35H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22+,23-,25+,26+,28+,29+/m1/s1

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InChIKey

GEBGPSOVDACJMU-GMXYRAIOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GEBGPSOVDACJMU-GMXYRAIOSA-N

1 reference

(Q105007071)

[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S,14S)-3,6,7-triacetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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