(Q105276473)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

436.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₆

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canonical SMILES

O=C(OC1C(OC(=O)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(C)=O)[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/C25H40O6/c1-15(14-21(28)29-8)12-13-24(6)17(3)22(30-18(4)26)23(31-19(5)27)25(7)16(2)10-9-11-20(24)25/h10,15,17,20,22-23H,9,11-14H2,1-8H3/t15-,17-,20-,22-,23+,24+,25+/m1/s1

0 references

InChIKey

UONHTCLFKUIIEE-IWWCZFPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UONHTCLFKUIIEE-IWWCZFPKSA-N

(Q105276473)

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

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