(Q115971392)

English

(2S,4aS,6aR,6aR,6bR,7S,8aR,12aS,14bR)-7-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₅

0 references

canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CC(O)C43C)C2C1)C

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isomeric SMILES

CC1(C)C(=O)CC[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)[C@@H](O)C[C@@H]12

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found in taxon

Glycyrrhiza inflata

1 reference

stated in

Screening for bioactive natural products from a 67-compound library of Glycyrrhiza inflata

Identifiers

InChI

InChI=1S/C30H44O5/c1-25(2)20-15-22(33)30(7)23(28(20,5)9-8-21(25)32)19(31)14-17-18-16-27(4,24(34)35)11-10-26(18,3)12-13-29(17,30)6/h14,18,20,22-23,33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20-,22-,23+,26+,27-,28-,29+,30+/m0/s1

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InChIKey

ZKKYLKFYKWOADW-XLWNCKIFSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ZKKYLKFYKWOADW-XLWNCKIFSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

ZKKYLKFYKWOADW-XLWNCKIFSA-N

(Q115971392)

(2S,4aS,6aR,6aR,6bR,7S,8aR,12aS,14bR)-7-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-2-carboxylic acid

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Identifiers

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