(Q105287022)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (2Z)-7,10-dihydroxy-2-(1-methoxy-1-oxopropan-2-ylidene)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydrochrysene-6a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

560.334918496 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₈

0 references

canonical SMILES

O=C(OC)C(=C1CCC2(C)C(CC=C3C4C(O)(C)C(C)CC(O)C4(C(=O)OC)CCC32C)C1(C)CC(=O)OC)C

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isomeric SMILES

COC(=O)C[C@@]1(C)/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

0 references

found in taxon

Diospyros decandra

1 reference

stated in

Novel 24-nor-, 24-nor-2,3-seco-, and 3,24-dinor-2,4-seco-ursane triterpenes from Diospyros decandra: evidences for ring A biosynthetic transformations

Identifiers

InChI

InChI=1S/C32H48O8/c1-18-16-23(33)32(27(36)40-9)15-14-29(4)21(25(32)31(18,6)37)10-11-22-28(3,17-24(34)38-7)20(12-13-30(22,29)5)19(2)26(35)39-8/h10,18,22-23,25,33,37H,11-17H2,1-9H3/b20-19-/t18-,22-,23+,25-,28+,29-,30-,31-,32-/m1/s1

0 references

InChIKey

VIUHTGZIQOGREC-ZVXGGGDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VIUHTGZIQOGREC-ZVXGGGDNSA-N

(Q105287022)

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

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Identifiers

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