(Q105026493)

English

methyl (3R)-5-[(1R,2S,3R,4R,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-4-(2-methylpropanoyloxy)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 5-[3-(acetyloxy)-1,2,4a,5-tetramethyl-4-[(2-methylpropanoyl)oxy]-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

464.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₆

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canonical SMILES

O=C(OC1C(OC(=O)C(C)C)C2(C(=CCCC2C(C)(CCC(C)CC(=O)OC)C1C)C)C)C

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isomeric SMILES

COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@]2(C)C(C)=CCC[C@H]12

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found in taxon

Chromolaena connivens

1 reference

stated in

Ent-Clerodane derivatives from Chromolaena connivens

Identifiers

InChI

InChI=1S/C27H44O6/c1-16(2)25(30)33-24-23(32-20(6)28)19(5)26(7,14-13-17(3)15-22(29)31-9)21-12-10-11-18(4)27(21,24)8/h11,16-17,19,21,23-24H,10,12-15H2,1-9H3/t17-,19-,21-,23-,24+,26+,27+/m1/s1

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InChIKey

HDRARQYTZDKSAS-PJYHHDOFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105026493)

methyl (3R)-5-[(1R,2S,3R,4R,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-4-(2-methylpropanoyloxy)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate

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