(Q110189777)

English

[(3S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3,13-dihydroxy-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-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3,13-dihydroxy-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-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

460.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₆

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canonical SMILES

O=C1OC(O)C2=C1C3(C)C(O)CC4C5(C)CCCC(C)(C)C5CCC4(C)C3CC2OC(=O)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C3=C1[C@@H](O)OC3=O)[C@H](O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

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found in taxon

Hyrtios gumminae

1 reference

stated in

Bioactive scalaranes from the Thai sponge Hyrtios gumminae

Identifiers

InChI

InChI=1S/C27H40O6/c1-14(28)32-15-12-18-26(5)11-8-16-24(2,3)9-7-10-25(16,4)17(26)13-19(29)27(18,6)21-20(15)22(30)33-23(21)31/h15-19,22,29-30H,7-13H2,1-6H3/t15-,16-,17+,18-,19+,22-,25-,26+,27+/m0/s1

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InChIKey

MFPOTKKSTPNPKG-ZBADOJFVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFPOTKKSTPNPKG-ZBADOJFVSA-N

(Q110189777)

[(3S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3,13-dihydroxy-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-4-yl] acetate

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Identifiers

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