(Q105215278)

English

(2S,5aalpha,9balpha,alphaR)-alpha-(3-Furyl)-2alpha-formyl-2,3abeta,6,6,9abeta-pentamethyldodecahydro-1H-cyclopenta[a]naphthalene-3beta-ethanol

chemical compound

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instance of

type of chemical entity

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subclass of

3-[2-(furan-3-yl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(2S,3S,3aS,5aS,9bS)-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyl-octahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

386.282095076 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,3aS,5aS,9aS,9bS)-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₃

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canonical SMILES

O=CC1(C)CC2C3(C)CCCC(C)(C)C3CCC2(C)C1CC(O)C4=COC=C4

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H](C[C@@H](O)c3ccoc3)[C@@](C)(C=O)C[C@H]21

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found in taxon

Hyrtios erectus

1 reference

stated in

Salmahyrtisol A, a novel cytotoxic sesterterpene from the Red Sea sponge Hyrtios erecta

Identifiers

InChI

InChI=1S/C25H38O3/c1-22(2)9-6-10-24(4)19(22)7-11-25(5)20(23(3,16-26)14-21(24)25)13-18(27)17-8-12-28-15-17/h8,12,15-16,18-21,27H,6-7,9-11,13-14H2,1-5H3/t18-,19+,20-,21-,23-,24+,25+/m1/s1

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InChIKey

PUTJFIQGLGDLIT-YVWILONDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUTJFIQGLGDLIT-YVWILONDSA-N

1 reference

(Q105215278)

(2S,5aalpha,9balpha,alphaR)-alpha-(3-Furyl)-2alpha-formyl-2,3abeta,6,6,9abeta-pentamethyldodecahydro-1H-cyclopenta[a]naphthalene-3beta-ethanol

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Identifiers

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