(Q105299010)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

488.313789128 dalton

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₆

0 references

canonical SMILES

O=C(OC1OC=C2C(OC(=O)C)CC3C4(C)CCC5C(C)(C)CCCC5(C)C4CC(O)C3(C)C21)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@H]2[C@](C)([C@@H](O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)[C@@H]2C1=CO[C@H]2OC(C)=O

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found in taxon

Hyrtios erectus

1 reference

stated in

12-epi-heteronemin : New sesterterpene from the marine sponge Hyrtios erecta

Identifiers

InChI

InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21-,22+,23-,24+,25-,27-,28+,29+/m0/s1

0 references

InChIKey

VYIQDOVNWPEWRJ-VULLHLBZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VYIQDOVNWPEWRJ-VULLHLBZSA-N

(Q105299010)

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

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