(Q105260424)

English

[(4R,5aS,5bR,7aS,11aS,11bR,13S,13aS)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-13-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Hydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-13-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

428.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4S,5aS,5bR,7aS,11aS,11bR,13S,13aS)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-13-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₄

0 references

canonical SMILES

O=C(OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC(O)C5=COC=C5C14C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)c3cocc3[C@@]12C

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found in taxon

Spongia hispida

1 reference

stated in

Two New Scalarane Sesterterpenes: Isoscalarafuran-A and -B, Epimeric Alcohols From a Southern Australian Marine Sponge, Spongia hispida

Raspailia hispida

1 reference

stated in

Two New Scalarane Sesterterpenes: Isoscalarafuran-A and -B, Epimeric Alcohols From a Southern Australian Marine Sponge, Spongia hispida

Identifiers

InChI

InChI=1S/C27H40O4/c1-16(28)31-23-13-21-25(4)10-7-9-24(2,3)20(25)8-11-26(21,5)22-12-19(29)17-14-30-15-18(17)27(22,23)6/h14-15,19-23,29H,7-13H2,1-6H3/t19-,20+,21-,22+,23+,25+,26-,27-/m1/s1

0 references

InChIKey

STNCPASBTRDSBG-IWUBZGKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

STNCPASBTRDSBG-IWUBZGKGSA-N

1 reference

(Q105260424)

[(4R,5aS,5bR,7aS,11aS,11bR,13S,13aS)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-13-yl] acetate

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Identifiers

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