(Q105237581)

English

methyl (3R,4aR,4bS,6aR,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,4,4a,5,6,11,12-octahydrochrysene-3-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,4,4a,5,6,11,12-octahydrochrysene-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (3R,4bR,6aR,7Z,10bR,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,4,4a,5,6,11,12-octahydrochrysene-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

482.303224444 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (3R,4aR,4bS,6aR,7E,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,4,4a,5,6,11,12-octahydrochrysene-3-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₅

0 references

canonical SMILES

O=C(OC)C=C1C(=CC=C2C1(C)CCC3(C)C4CC(C(=O)OC)(C)CCC4(C)CCC23C)C(=O)C

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isomeric SMILES

COC(=O)C=C1C(C(C)=O)=CC=C2[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@H]4[C@]3(C)CC[C@@]12C

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found in taxon

Hippocratea volubilis

1 reference

stated in

Antigiardial activity of triterpenoids from root bark of Hippocratea excelsa

Identifiers

InChI

InChI=1S/C30H42O5/c1-19(31)20-9-10-22-28(4,21(20)17-24(32)34-7)14-16-30(6)23-18-27(3,25(33)35-8)12-11-26(23,2)13-15-29(22,30)5/h9-10,17,23H,11-16,18H2,1-8H3/t23-,26-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

RJLTUQKBCWHJFJ-WXPPGMDDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105237581)

methyl (3R,4aR,4bS,6aR,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,4,4a,5,6,11,12-octahydrochrysene-3-carboxylate

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