(Q105201648)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-[3-acetyloxy-1,2,4a,5-tetramethyl-4-(2-methylbut-2-enoyloxy)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

476.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₆

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canonical SMILES

O=C(OC1C(OC(=O)C)C(C)C(C)(CCC(C)CC(=O)OC)C2CCC=C(C)C12C)C(=CC)C

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isomeric SMILES

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

0 references

found in taxon

Chromolaena connivens

1 reference

stated in

Ent-Clerodane derivatives from Chromolaena connivens

Identifiers

InChI

InChI=1S/C28H44O6/c1-10-18(3)26(31)34-25-24(33-21(6)29)20(5)27(7,15-14-17(2)16-23(30)32-9)22-13-11-12-19(4)28(22,25)8/h10,12,17,20,22,24-25H,11,13-16H2,1-9H3/b18-10-/t17-,20-,22-,24-,25+,27+,28+/m1/s1

0 references

InChIKey

OVYJNAOQXYCQCY-KYCCJQBSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVYJNAOQXYCQCY-KYCCJQBSSA-N

(Q105201648)

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

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