(Q104936947)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

442.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₅

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canonical SMILES

O=C1OC(O)C2=C1C=CC3C2(C)C(OC(=O)C)CC4C3(C)CCC5C(C)(C)CCCC54C

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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=CC3=C([C@@H](O)OC3=O)[C@@]12C

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found in taxon

Spongia matamata

1 reference

stated in

Two new sesterterpenoids and a new 9,11-secosterol from Spongia matamata

Identifiers

InChI

InChI=1S/C27H38O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8-9,17-20,23,30H,7,10-14H2,1-6H3/t17-,18-,19+,20-,23-,25-,26-,27+/m0/s1

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InChIKey

BJBGDHNOBUEPQV-HDRSVQBTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104936947)

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

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Identifiers

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