(Q105216126)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

544.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₆

0 references

canonical SMILES

O=C(OC1C(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)OC)CCC4(C)C3(C)CCC2C1(C)C)C

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isomeric SMILES

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

0 references

found in taxon

Myrianthus arboreus

1 reference

stated in

Triterpene acids from Myrianthus arboreus

Identifiers

InChI

InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(35)26(39-20(2)34)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1

0 references

InChIKey

PXDXCTTVAVOJTB-RWJBENBGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXDXCTTVAVOJTB-RWJBENBGSA-N

(Q105216126)

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

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