ALLOFUSICOCCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H56O12
Molecular Weight	680.8226
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)[C@@]3([H])[C@@H](O)CC([C@@H](C)COC(C)=O)=C3[C@@H](O[C@H]4O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@H](O)[C@@H]2C

InChI

InChIKey=VIDHLMDVVXUKKF-CHKMVKNFSA-N

InChI=1S/C36H56O12/c1-10-36(7,8)45-16-26-31(41)32(42)34(46-21(6)38)35(47-26)48-33-29-24(17(2)14-44-20(5)37)13-25(39)28(29)19(4)27-22(15-43-9)11-12-23(27)18(3)30(33)40/h10,17-18,22-23,25-26,28,30-35,39-42H,1,11-16H2,2-9H3/b27-19-/t17-,18+,22+,23-,25-,26+,28-,30+,31+,32-,33+,34+,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H56O12
Molecular Weight	680.8226
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 09:35:22 GMT 2023` Edited by `admin` on `Sat Dec 16 09:35:22 GMT 2023`
Record UNII	LA46MX7W6X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOFUSICOCCIN

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)-, 2-ACETATE, (1S-(1.ALPHA.,3(R*),4.ALPHA.,5.BETA.,6.B

Systematic Name

English

Code System Code Type Description

CAS

38179-95-2

Created by admin on Sat Dec 16 09:35:22 GMT 2023 , Edited by admin on Sat Dec 16 09:35:22 GMT 2023

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EPA CompTox

DTXSID601337868

Created by admin on Sat Dec 16 09:35:22 GMT 2023 , Edited by admin on Sat Dec 16 09:35:22 GMT 2023

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FDA UNII

LA46MX7W6X

Created by admin on Sat Dec 16 09:35:22 GMT 2023 , Edited by admin on Sat Dec 16 09:35:22 GMT 2023

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PUBCHEM

123133453

Created by admin on Sat Dec 16 09:35:22 GMT 2023 , Edited by admin on Sat Dec 16 09:35:22 GMT 2023

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