(Q105014796)

English

methyl (1R,2S,4aR,4bS,6aS,7S,9R,10R,10aS,12aR)-7,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 7,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

576.366218624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₈

0 references

canonical SMILES

O=C(OC)CC1(C)C(CCC2(C)C1CC=C3C4C(O)(C)C(C)CC(O)C4(C(=O)OC)CCC32C)C(C(=O)OC)(C)C

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isomeric SMILES

COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@@H]1CC=C1[C@H]3[C@@](C(=O)OC)(CC[C@]12C)[C@@H](O)C[C@@H](C)[C@@]3(C)O

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found in taxon

Musanga cecropioides

1 reference

stated in

Seco-ring-A-triterpenoids from the rootwood of Musanga cecropioides

Identifiers

InChI

InChI=1S/C33H52O8/c1-19-17-23(34)33(27(37)41-10)16-15-30(5)20(25(33)32(19,7)38)11-12-22-29(4,18-24(35)39-8)21(13-14-31(22,30)6)28(2,3)26(36)40-9/h11,19,21-23,25,34,38H,12-18H2,1-10H3/t19-,21-,22-,23+,25-,29+,30-,31-,32-,33-/m1/s1

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InChIKey

GPFIXSHMOBZNPJ-DRAHYRFISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105014796)

methyl (1R,2S,4aR,4bS,6aS,7S,9R,10R,10aS,12aR)-7,10-dihydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate

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Identifiers

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