(Q110187386)

English

10-[(4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(4Z)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione

group of stereoisomers with the chemical formula C₄₁H₅₂N₂O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

716.367281244 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₅₂N₂O₉

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canonical SMILES

O=C1C=C(OC=2C=3C(=O)C=4C(O)=C(C=C(C4C(=O)C3C=C(C12)C)C5OC(C)C(O)C(N(C)C)C5)C6OC(C)C(O)C(N(C)C)(C)C6)C(C)CC=CC

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isomeric SMILES

C/C=C\CC(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c(C2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc(C2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O

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Identifiers

InChI

InChI=1S/C41H52N2O9/c1-11-12-13-19(2)28-17-27(44)31-20(3)14-25-33(39(31)52-28)38(48)34-32(37(25)47)23(29-16-26(42(7)8)35(45)21(4)50-29)15-24(36(34)46)30-18-41(6,43(9)10)40(49)22(5)51-30/h11-12,14-15,17,19,21-22,26,29-30,35,40,45-46,49H,13,16,18H2,1-10H3/b12-11-/t19?,21-,22+,26-,29?,30?,35-,40-,41+/m1/s1

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InChIKey

VWFVFHNESZVLJB-WRWKXZNDSA-N

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PubChem CID

10485005

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VWFVFHNESZVLJB-WRWKXZNDSA-N

1 reference

(Q110187386)

10-[(4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-[(4Z)-hex-4-en-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione

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