FUSICOCCIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H54O11
Molecular Weight	638.786
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](COC)C1=C[C@@]3(C)[C@@H](O)CC([C@H](C)COC(C)=O)=C3[C@@H](O[C@@]4([H])O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H]2C

InChI

InChIKey=IEYDDQSCFAJEQD-AHQPFIERSA-N

InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H54O11
Molecular Weight	638.786
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:36:34 UTC 2023` Edited by `admin` on `Sat Dec 16 12:36:34 UTC 2023`
Record UNII	V9WUG372BX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FUSICOCCIN C

Common Name

English

.ALPHA.-D-GLUCOPYRANOSIDE, 3-(2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-, (1S-(1.ALPHA.,3(R*),4.ALPHA.,5.BETA.,6.BETA.,6A.ALP

Systematic Name

English

3'-MONODEACETYLFUSICOCCIN

Common Name

English

3'-DEACETYLFUSICOCCIN A

Common Name

English

(1S,4R,5R,6R,6AS,9S,10AR)-3-((1S)-2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-.ALPHA.-D-GLUCOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

101306709

Created by admin on Sat Dec 16 12:36:34 UTC 2023 , Edited by admin on Sat Dec 16 12:36:34 UTC 2023

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FDA UNII

V9WUG372BX

Created by admin on Sat Dec 16 12:36:34 UTC 2023 , Edited by admin on Sat Dec 16 12:36:34 UTC 2023

PRIMARY

CAS

26543-87-3

Created by admin on Sat Dec 16 12:36:34 UTC 2023 , Edited by admin on Sat Dec 16 12:36:34 UTC 2023

PRIMARY

EPA CompTox

DTXSID80864920

Created by admin on Sat Dec 16 12:36:34 UTC 2023 , Edited by admin on Sat Dec 16 12:36:34 UTC 2023

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