LSM-5010 (Q27166185)

H0635_SIGMA (English)

9 October 2016

chemical formula

C₂₉H₃₉NO₉

1 reference

H0635_SIGMA (English)

9 October 2016

canonical SMILES

CC12C(C(=CC13CCCN3CCC4=CC5=C(C=C24)OCO5)OC)OC(=O)C(CCCC(C)(C)O)(CC(=O)O)O

1 reference

H0635_SIGMA (English)

9 October 2016

isomeric SMILES

C[C@@]12C(C(=C[C@@]13CCCN3CCC4=CC5=C(C=C24)OCO5)OC)OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)O)O

1 reference

H0635_SIGMA (English)

InChI=1S/C29H39NO9/c1-26(2,34)8-5-9-28(35,16-23(31)32)25(33)39-24-22(36-4)15-29-10-6-11-30(29)12-7-18-13-20-21(38-17-37-20)14-19(18)27(24,29)3/h13-15,24,34-35H,5-12,16-17H2,1-4H3,(H,31,32)/t24?,27-,28-,29+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

H0635_SIGMA (English)

DJIVDDPFKDEQIR-XSEHADPMSA-N

9 October 2016

InChIKey

2 references

H0635_SIGMA (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3xi)-O~3~-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]-4-methylcephalotaxine (English)

9 October 2016

1 reference

(3xi)-O~3~-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]-4-methylcephalotaxine (English)

9 October 2016

1 reference

H0635_SIGMA (English)

9 October 2016

ChEBI ID

94351

mapping relation type

1 reference