CRISAMICIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H22O12
Molecular Weight	598.5099
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
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=CC(=CC(O)=C4C3=O)C5=CC(O)=C6C(=O)C7=C([C@H](C)O[C@@]8([H])CC(=O)O[C@@]78[H])C(=O)C6=C5

InChI

InChIKey=IPAXVRZEFNMCLP-GJPLRXPFSA-N

InChI=1S/C32H22O12/c1-9-21-25(31-17(41-9)7-19(35)43-31)29(39)23-13(27(21)37)3-11(5-15(23)33)12-4-14-24(16(34)6-12)30(40)26-22(28(14)38)10(2)42-18-8-20(36)44-32(18)26/h3-6,9-10,17-18,31-34H,7-8H2,1-2H3/t9-,10-,17-,18-,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H22O12
Molecular Weight	598.5099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:19 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:19 GMT 2023`
Record UNII	KJ7654W82V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRISAMICIN A

Common Name

English

(8,8'-BI-2H-FURO(3,2-B)NAPHTHO(2,3-D)PYRAN)-2,2',6,6',11,11'-HEXONE, 3,3',3A,3'A,5,5',11B,11'B-OCTAHYDRO-10,10'-DIHYDROXY-5,5'-DIMETHYL-, (3AS,3'AS,5S,5'S,11BS,11'BS)-

Systematic Name

English

(8,8'-BI-2H-FURO(3,2-B)NAPHTHO(2,3-D)PYRAN)-2,2',6,6',11,11'-HEXONE, 3,3',3A,3'A,5,5',11B,11'B-OCTAHYDRO-10,10'-DIHYDROXY-5,5'-DIMETHYL-, (3AS-(3A.ALPHA.,5.ALPHA.,8(3AR*,5R*,11BR*),11B.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

95828-47-0

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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FDA UNII

KJ7654W82V

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

PRIMARY

EPA CompTox

DTXSID10914801

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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PUBCHEM

25023403

Created by admin on Sat Dec 16 09:44:19 GMT 2023 , Edited by admin on Sat Dec 16 09:44:19 GMT 2023

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