(Q104396906)

English

(1S,3R,4S,7R,10R)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate

group of stereoisomers with the chemical formula C₃₁H₃₈O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

602.236326656 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₈O₁₂

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canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(O)CC1(O)C4(C)C)CO)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC1C(=O)[C@]2(CO)C(O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2C(OC(=O)c2ccccc2)[C@]2(O)CC(O)C(C)=C1C2(C)C

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found in taxon

Taxus sumatrana

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stated in

New Bicyclic Taxane Diterpenoids from Taxus sumatrana.

Taxus wallichiana

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stated in

New Bicyclic Taxane Diterpenoids from Taxus sumatrana.

stated in

Taxanes from Taxus yunnanensis

stated in

New taxane diterpenoids from the leaves and twigs of Taxus sumatrana

Identifiers

InChI

InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19?,20?,21-,23?,24+,26?,29-,30+,31-/m1/s1

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InChIKey

SYDMVWLQJZBPIU-LZYNYUEESA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104396906)

(1S,3R,4S,7R,10R)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate

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Identifiers

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