(Q105027216)

English

methyl (1R,2S,4aR,4bS,5S,6aS,9R,10R,10aS,12aS)-5,10-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 5,10-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)CCC4(C(=O)OC)CC(O)C32C)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@@H](C)[C@@]3(C)O)C[C@H](O)[C@]12C

0 references

found in taxon

Musanga cecropioides

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C33H52O8/c1-19-13-16-33(27(37)41-10)17-23(34)31(6)20(25(33)32(19,7)38)11-12-22-29(4,18-24(35)39-8)21(14-15-30(22,31)5)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

0 references

InChIKey

HFBJCUAOHBIRFA-STGPNOLNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFBJCUAOHBIRFA-STGPNOLNSA-N

(Q105027216)

methyl (1R,2S,4aR,4bS,5S,6aS,9R,10R,10aS,12aS)-5,10-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

Statements

Identifiers

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