(Q105370728)

English

(3S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-dimethylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

1 reference

based on heuristic

inferred from SMILES

mass

414.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O

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canonical SMILES

O(C)C1CCC2(C3=C(CCC2C1)C4CCC(C(C)CCC(C)C(C)C)C4(C)CC3)C

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isomeric SMILES

CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC3

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found in taxon

Microscleroderma spirophora

1 reference

stated in

Novel 3-β-methoxysteroids from the senegalse sponge Microscleroderma spirophora

Identifiers

InChI

InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25-26H,8-18H2,1-7H3/t20-,21-,22+,23+,25-,26+,28+,29-/m1/s1

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InChIKey

ZBNICHMFKCQMIT-AXMPPXCASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZBNICHMFKCQMIT-AXMPPXCASA-N

(Q105370728)

(3S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

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Identifiers

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