(Q105328102)

English

(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(5-ethyl-6-methylheptan-2-yl)-7-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-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(C)C3C(=CCC2C1)C4CCC(C(C)CCC(CC)C(C)C)C4(C)CC3

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isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)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/h12,20-24,26-28H,8-11,13-19H2,1-7H3/t21-,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1

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InChIKey

XHGNZECTKQUORD-ZVWIDSQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHGNZECTKQUORD-ZVWIDSQWSA-N

(Q105328102)

(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

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Identifiers

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