(Q104922528)

English

(1S,2R,5R,7S,8R,9R,10R,13R,14S,15R,18S)-7-hydroxy-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,8,18-tricarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-Hydroxy-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,8,18-tricarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

516.308703748 dalton

1 reference

1 reference

C₃₀H₄₄O₇

0 references

canonical SMILES

O=C(O)C1C(O)C(C)(C)C2CCC3(C)C(CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43C(=O)O)C12C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

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found in taxon

Hovenia trichocarpa

1 reference

stated in

A lupane-triterpene and a 3(2→1)abeolupane glucoside from Hovenia trichocarea

Identifiers

InChI

InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20-,21+,22-,27+,28-,29-,30+/m0/s1

0 references

InChIKey

BAXRQVCGTADURA-SGXUKMBQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAXRQVCGTADURA-SGXUKMBQSA-N

(Q104922528)

(1S,2R,5R,7S,8R,9R,10R,13R,14S,15R,18S)-7-hydroxy-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,8,18-tricarboxylic acid

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Identifiers

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