(Q104913149)

English

(3S,8S,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(5-ethyl-6-methylheptan-2-yl)-7-hydroxy-1H,2H,3H,3aH,3bH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one

1 reference

based on heuristic

inferred from SMILES

mass

400.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₂

0 references

canonical SMILES

O=C1C=C2CC(O)CCC2C3CCC4C(CCC4C13)C(C)CCC(CC)C(C)C

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](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)21-10-12-25-23(21)11-13-24-22-9-8-20(28)14-19(22)15-26(29)27(24)25/h15-18,20-25,27-28H,5-14H2,1-4H3/t17-,18-,20+,21-,22+,23-,24-,25-,27-/m1/s1

0 references

InChIKey

AJFCALALFFWFPQ-UOGTYZRGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AJFCALALFFWFPQ-UOGTYZRGSA-N

(Q104913149)

(3S,8S,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one

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Identifiers

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