(Q105116474)

English

methyl (4aR,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

482.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₄

0 references

canonical SMILES

O=C(OC)C12C(=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1)CC(C(=O)C2)(C)C

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isomeric SMILES

COC(=O)[C@@]12CC[C@]3(C)C(=C1CC(C)(C)C(=O)C2)C=C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C

0 references

found in taxon

Tetrapanax papyrifer

1 reference

stated in

Oleanane-type triterpenes from the flowers, pith, leaves, and fruit of Tetrapanax papyriferus

Identifiers

InChI

InChI=1S/C31H46O4/c1-26(2)17-20-19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-30(22,7)29(19,6)15-16-31(20,18-24(26)33)25(34)35-8/h9-10,21-23,32H,11-18H2,1-8H3/t21-,22+,23-,28-,29+,30+,31+/m0/s1

0 references

InChIKey

INXJIILGAQGOED-ACQPDGJHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

INXJIILGAQGOED-ACQPDGJHSA-N

(Q105116474)

methyl (4aR,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylate

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Identifiers

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