(Q105144983)

English

(3S,5S,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-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-ethyl-6-methylheptan-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

428.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O

0 references

canonical SMILES

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

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isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC)C[C@@H]1CC3)C(C)C

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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/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-24,26-27H,8-19H2,1-7H3/t21-,22+,23+,24+,26-,27+,29+,30-/m1/s1

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InChIKey

KRGOSJZEIIWSOZ-YCRHSHAKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105144983)

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

Statements

Identifiers

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