(Q105299008)

English

[(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

group of stereoisomers with the chemical formula C₂₉H₄₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

scalarane sesterterpenoid

1 reference

inferred from

scalarane sesterterpenoid

mass

488.3137891279999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₄O₆

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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]1CC2[C@](C)([C@@H](O)CC3[C@@]4(C)CCCC(C)(C)C4CC[C@]32C)[C@H]2C1=CO[C@@H]2OC(C)=O

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found in taxon

Hippospongia

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stated in

Cytotoxic sesterterpenoids from a sponge Hippospongia sp

Spongiidae

1 reference

stated in

Chemistry of Sponges, VI. Scalarane Sesterterpenes from Hyatella intestinalis

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

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InChIKey

VYIQDOVNWPEWRJ-KBNDUUKASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VYIQDOVNWPEWRJ-KBNDUUKASA-N

1 reference

(Q105299008)

[(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

Statements

Identifiers

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