(Q105107204)

English

[(5aS,5bR,7aR,9S,11aR,11bS,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

444.28757438 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₅

0 references

canonical SMILES

O=C1OCC2=C1C3(C)C(O)CC4C(C)(CCC5C(C)(C)C(OC(=O)C)CCC54C)C3CC2

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3C[C@@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@H]2C1(C)C)COC5=O

0 references

found in taxon

Hyrtios erectus

2 references

stated in

Antimycobacterial scalarane-based sesterterpenes from the Red Sea sponge Hyrtios erecta.

stated in

Antimycobacterial Scalarane-Based Sesterterpenes from the Red Sea SpongeHyrtios erecta.

Identifiers

InChI

InChI=1S/C27H40O5/c1-15(28)32-21-10-12-25(4)17(24(21,2)3)9-11-26(5)18-8-7-16-14-31-23(30)22(16)27(18,6)20(29)13-19(25)26/h17-21,29H,7-14H2,1-6H3/t17-,18-,19-,20+,21-,25-,26-,27+/m0/s1

0 references

InChIKey

GRIVEGVPDUNMNE-MDLCIAAHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRIVEGVPDUNMNE-MDLCIAAHSA-N

(Q105107204)

[(5aS,5bR,7aR,9S,11aR,11bS,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-yl] acetate

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