(Q104945117)

English

1-[(1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[9-Hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

1 reference

based on heuristic

inferred from InChIKey

Messagenin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1-[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₃

0 references

canonical SMILES

O=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

CC(=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Monteverdia chiapensis

1 reference

stated in

Lupane triterpenoids from Maytenus species

Identifiers

InChI

InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26+,27+,28+,29+/m0/s1

0 references

InChIKey

BSALBDFYJLSIOZ-MMNZSSGFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BSALBDFYJLSIOZ-MMNZSSGFSA-N

(Q104945117)

1-[(1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone

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