GRANATICIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30O12
Molecular Weight	558.5306
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]2C[C@H]3O[C@H](C)[C@@]2(O)C4=C(O)C5=C(C(=O)C6=C([C@H](C)O[C@H]7CC(=O)O[C@@H]67)C5=O)C(O)=C34

InChI

InChIKey=HLNZYALGGXMQQC-VHAJSWNUSA-N

InChI=1S/C28H30O12/c1-8-11(29)4-5-16(37-8)39-14-6-12-18-22(28(14,35)10(3)38-12)26(34)20-19(24(18)32)25(33)21-17(23(20)31)9(2)36-13-7-15(30)40-27(13)21/h8-14,16,27,29,32,34-35H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13-,14+,16-,27+,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

GRANATICIN B

Common Name

English

GRANATICIN B [MI]

Preferred Name

English

MSK777

Code

English

LBS-007

Code

English

8,11-ETHANOFURO(2,3-E)NAPHTHO(2,3-C:6,7-C')DIPYRAN-2,6,13(9H)-TRIONE, 3,3A,5,8,11,13B-HEXAHYDRO-7,8,12-TRIHYDROXY-5,9-DIMETHYL-15-(((2S,5S,6S)-TETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)OXY)-, (3AS,5S,8S,9R,11R,13BS,15R)-

Common Name

English

MSK-777

Code

English

8,11-ETHANOFURO(2,3-E)NAPHTHO(2,3-C:6,7-C')DIPYRAN-2,6,13(9H)-TRIONE, 3,3A,5,8,11,13B-HEXAHYDRO-7,8,12-TRIHYDROXY-5,9-DIMETHYL-15-((TETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)OXY)-, (3AS-(3A.ALPHA.,5.ALPHA.,8.ALPHA.,9.ALPHA.,11.BETA.,13B.ALPHA.,15S*(2R*

Common Name

English

MM-44326

Code

English

N01WB-352B

Code

English

MM44326

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

625017