(Q105209787)

English

(Z,6S)-6-[(3R,5S,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-6-oxo-1,2,3,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(3-Hydroxy-4,4,10,13,14-pentamethyl-6-oxo-1,2,3,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(24Z)-3alpha-Hydroxy-6-oxo-7,24-tirucalladiene-26-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=CC(=O)C4C(C)(C)C(O)CCC4(C)C3CCC12C)C)C

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isomeric SMILES

C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC(=O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)O

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found in taxon

Amphipterygium adstringens

1 reference

stated in

Tirucallane-type triterpenes from Juliania adstringens

Identifiers

InChI

InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-11-15-30(7)22-17-23(31)25-27(3,4)24(32)13-14-28(25,5)21(22)12-16-29(20,30)6/h10,17-18,20-21,24-25,32H,8-9,11-16H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,21-,24+,25+,28+,29-,30+/m0/s1

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InChIKey

PIYBJKWSNAZHMU-ZIANZGCQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105209787)

(Z,6S)-6-[(3R,5S,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-6-oxo-1,2,3,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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Identifiers

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