(Q105259627)

English

(2R,4aR,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-methoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-methoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₄

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CC(=O)C4C5(C)CCC(OC)C(C)(C)C5CCC43C)C2C1)C

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isomeric SMILES

CO[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@H]5C[C@](C)(C(=O)O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

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found in taxon

liquorice

1 reference

stated in

Triterpene compounds of the herbage of Glycyrrhiza glabra

Identifiers

InChI

InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)35-8)21(32)17-19-20-18-28(4,25(33)34)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24H,9-16,18H2,1-8H3,(H,33,34)/t20-,22+,23+,24+,27+,28-,29-,30-,31-/m1/s1

0 references

InChIKey

SSEAJHCIILJAKF-AQQSQZBYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SSEAJHCIILJAKF-AQQSQZBYSA-N

(Q105259627)

(2R,4aR,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-methoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

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