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

[H][C@]12CC(=O)O[C@@]1([H])C3=C([C@H](C)O2)C(=O)C4=C(C3=O)C(O)=C5[C@H]6C[C@@H](O[C@H]7CC[C@H](O)[C@H](C)O7)[C@@](O)([C@@H](C)O6)C5=C4O

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

Molecular Formula	C28H30O12
Molecular Weight	558.5306
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:40:22 GMT 2023` Edited by `admin` on `Sat Dec 16 01:40:22 GMT 2023`
Record UNII	JS606MEA30
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

GRANATICIN B

Common Name

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

MM-44326

Code

English

GRANATICIN B [MI]

Common Name

English

MM 44326

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

625017