(Q105007943)

English

(6R,8S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5-Ethyl-6-methylheptan-2-yl)-6-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

400.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₂

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canonical SMILES

O=C1C=C2C(O)CC3C(CCC4C(CCC43)C(C)CCC(CC)C(C)C)C2CC1

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@H]21)C(C)C

0 references

found in taxon

Aristolochia indica

1 reference

stated in

An N-glycoside and steroids from Aristolochia indica

Identifiers

InChI

InChI=1S/C27H44O2/c1-5-18(16(2)3)7-6-17(4)20-10-11-22-21(20)12-13-23-24-9-8-19(28)14-26(24)27(29)15-25(22)23/h14,16-18,20-25,27,29H,5-13,15H2,1-4H3/t17-,18-,20-,21-,22-,23-,24-,25+,27-/m1/s1

0 references

InChIKey

GGBLTSFYLCGVAG-XWKNHXFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGBLTSFYLCGVAG-XWKNHXFNSA-N

(Q105007943)

(6R,8S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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