(Q105199517)

English

methyl (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

1 reference

1 reference

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Maslinic acid methyl ester

1 reference

based on heuristic

inferred from InChIKey

Methyl 3-epimaslinate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (4aS,6aS,6aS,6bR,8aS,10R,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₄

0 references

canonical SMILES

O=C(OC)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

0 references

isomeric SMILES

COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

0 references

found in taxon

Castanospermum australe

1 reference

stated in

Extractives of Australian timbers. XII. Minor sapogenins of Castanospermum australe (Leguminosae). A stereospecific synthesis of methyl 2β,3β-Dihydroxyolean-12-en-28-oate

Identifiers

InChI

InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21-,22-,23+,24-,28-,29+,30+,31-/m0/s1

0 references

InChIKey

OTDUGESKRJHFHR-VFGSRWGOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105199517)

methyl (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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