(Q104939389)

English

(4aR,5S,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,2,6a,6b,9,9,12a-heptamethyl-5-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

552.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₅

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canonical SMILES

O=C(OC1CC2(C(=CCC3C4(C)CCC(=O)C(C)(C)C4CCC32C)C5CC(C)(C)CCC15C(=O)O)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)CC[C@]12C(=O)O

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found in taxon

Lantana camara

1 reference

stated in

Noroleanane Triterpenoids from the Aerial Parts ofLantana camara

Identifiers

InChI

InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-34(9)22(23-19-30(3,4)17-18-35(23,27)29(38)39)11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-33(25,34)8/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27-,32-,33+,34+,35+/m0/s1

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InChIKey

BOPSWTKHUBYVHB-CPUYKNEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BOPSWTKHUBYVHB-CPUYKNEDSA-N

(Q104939389)

(4aR,5S,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

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Identifiers

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