(Q105290047)

English

[(1R,2S,5S,6R,9S,13R)-2,6-diacetyloxy-5-(acetyloxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

group of stereoisomers with the chemical formula C₂₈H₄₀O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

504.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₈

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canonical SMILES

O=C(OCC1=CC23CC1CCC2C4(C)CCC(OC(=O)C)C(C)(COC(=O)C)C4CC3OC(=O)C)C

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isomeric SMILES

CC(=O)OCC1=C[C@]23C[C@H]1CCC2[C@]1(C)CC[C@@H](OC(C)=O)[C@](C)(COC(C)=O)C1C[C@@H]3OC(C)=O

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found in taxon

Sideritis hirsuta

1 reference

stated in

ent-Kauranoid derivatives from Sideritis moorei

Identifiers

InChI

InChI=1S/C28H40O8/c1-16(29)33-14-21-13-28-12-20(21)7-8-22(28)26(5)10-9-24(35-18(3)31)27(6,15-34-17(2)30)23(26)11-25(28)36-19(4)32/h13,20,22-25H,7-12,14-15H2,1-6H3/t20-,22?,23?,24-,25+,26+,27-,28-/m1/s1

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InChIKey

VNZPVJZZRDTVIU-YYOMRFRBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VNZPVJZZRDTVIU-YYOMRFRBSA-N

(Q105290047)

[(1R,2S,5S,6R,9S,13R)-2,6-diacetyloxy-5-(acetyloxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate

Statements

Identifiers

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