(Q104944588)

English

methyl 5-[(1R,2S,3R,4R,4aR,8aR)-4-hydroxy-1,2,4a,5-tetramethyl-3-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-[4-hydroxy-1,2,4a,5-tetramethyl-3-(3-phenylprop-2-enoyloxy)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate

1 reference

based on heuristic

inferred from SMILES

mass

494.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₆

0 references

canonical SMILES

O=C(OC1C(O)C2(C(=CCCC2C(C)(CC(=O)C(=C)CC(=O)OC)C1C)C)C)C=CC=3C=CC=CC3

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isomeric SMILES

C=C(CC(=O)OC)C(=O)C[C@@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@]2(C)C(C)=CCC[C@H]12

0 references

found in taxon

Premna tomentosa

1 reference

stated in

Cytotoxic clerodane diterpenoids from the leaves of Premna tomentosa.

Identifiers

InChI

InChI=1S/C30H38O6/c1-19(17-26(33)35-6)23(31)18-29(4)21(3)27(28(34)30(5)20(2)11-10-14-24(29)30)36-25(32)16-15-22-12-8-7-9-13-22/h7-9,11-13,15-16,21,24,27-28,34H,1,10,14,17-18H2,2-6H3/b16-15+/t21-,24-,27-,28+,29+,30+/m1/s1

0 references

InChIKey

BQVDTHYZGFCERA-GBOSTOGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQVDTHYZGFCERA-GBOSTOGDSA-N

1 reference

(Q104944588)

methyl 5-[(1R,2S,3R,4R,4aR,8aR)-4-hydroxy-1,2,4a,5-tetramethyl-3-[(E)-3-phenylprop-2-enoyl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylidene-4-oxopentanoate

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