(Q105011327)

English

(4R)-4-[(5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

group of stereoisomers with the chemical formula C₂₇H₃₆O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

456.25118887199994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₆O₆

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canonical SMILES

O=C(O)CCC(C)C1CC(=O)C2(C=3C(=O)CC4C(C(=O)CCC4(C3C(=O)CC12C)C)(C)C)C

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isomeric SMILES

C[C@H](CCC(=O)O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O

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Identifiers

InChI

InChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-15,18H,7-13H2,1-6H3,(H,32,33)/t14-,15?,18+,25+,26-,27+/m1/s1

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InChIKey

GLUXWRYPXYKXKV-KYNPWPKBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GLUXWRYPXYKXKV-KYNPWPKBSA-N

1 reference

Natural Product Atlas ID

NPA029052

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GLUXWRYPXYKXKV-KYNPWPKBSA-N

(Q105011327)

(4R)-4-[(5R,10S,13R,14R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

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