(Q105248396)

English

(8R,9S,10S,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-13-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,3aS,9aS,9bS,11aS)-1-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,9bH,10H,11H-cyclopenta[a]phenanthrene-11a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

452.29265976 dalton

1 reference

1 reference

C₂₉H₄₀O₄

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canonical SMILES

O=C1C=CC2(C(C=CC3C2CCC4(C(=O)O)C3CCC4C(C)CCC(O)(C(=C)C)CC)=C1)C

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isomeric SMILES

C=C(C)[C@@](O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4(C)[C@H]3CC[C@@]21C(=O)O

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found in taxon

Crella

1 reference

stated in

Norselic acids A-E, highly oxidized anti-infective steroids that deter mesograzer predation, from the Antarctic sponge Crella sp.

Identifiers

InChI

InChI=1S/C29H40O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h7-8,12,14,17,19,22-25,33H,2,6,9-11,13,15-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27-,28-,29+/m1/s1

0 references

InChIKey

RZICIXRISYIONZ-VOXAHKMMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RZICIXRISYIONZ-VOXAHKMMSA-N

(Q105248396)

(8R,9S,10S,13S,14S,17R)-17-[(2R,5R)-5-ethyl-5-hydroxy-6-methylhept-6-en-2-yl]-10-methyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-13-carboxylic acid

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Identifiers

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