CASTALIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H20O18
Molecular Weight	632.4369
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, R,S

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C4=C3C(=O)O[C@H]([C@H]5OC(=O)C6=C([C@H]5O)C(O)=C(O)C(O)=C46)[C@@H]1O

InChI

InChIKey=PPUHUWSVCUJGTD-HNBYGWOQSA-N

InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2/t5-,14-,20-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H20O18
Molecular Weight	632.4369
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:33 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:33 GMT 2023`
Record UNII	BA7JCC4U52
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASTALIN

Common Name

English

NSC-297536

Code

English

12H-8,17,21-(EPOXYETHANYLYLIDYNE)-4,7-METHANO-5H-DIBENZO(H,O)(1,6)DIOXACYCLOHEPTADECIN-5,12,23-TRIONE, 7,8,9,10-TETRAHYDRO-1,2,3,9,14,15,16,18,19,20,25-UNDECAHYDROXY-10-(HYDROXYMETHYL)-

Systematic Name

English

NEOVESCALIN, INTRAMOL. 25,17-ESTER, (15.BETA.)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Castalin