ALISOL F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O5
Molecular Weight	488.6991
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O

InChI

InChIKey=YNKJSQIXVXWFBK-SLGDLKFASA-N

InChI=1S/C30H48O5/c1-16-13-19(25(33)27(4,5)34)35-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31,33-34H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24+,25-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O5
Molecular Weight	488.6991
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:27:01 GMT 2023` Edited by `admin` on `Sat Dec 16 18:27:01 GMT 2023`
Record UNII	YQC8D2QG5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALISOL F

Common Name

English

DAMMAR-13(17)-EN-3-ONE, 16,23-EPOXY-11,24,25-TRIHYDROXY-,(8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,16.BETA.,23S,24R)-

Systematic Name

English

(8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,16.BETA.,23S,24R)-16,23-EPOXY-11,24,25-TRIHYDROXYDAMMAR-13(17)-EN-3-ONE

Systematic Name

English

(2AR,6AS,6BS,7S,9R,11S,12AS,13AR,13BS)-11-((R)-1,2-DIHYDROXY-2-METHYLPROPYL)-7-HYDROXY-3,3,6A,9,13A,13B-HEXAMETHYL-1,2A,3,5,6,6A,6B,7,8,9,10,11,12A,13,13A,13B-HEXADECAHYDRONAPHTHO(2',1':4,5)INDENO(2,1-B)PYRAN-4(2H)-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

76310822

Created by admin on Sat Dec 16 18:27:01 GMT 2023 , Edited by admin on Sat Dec 16 18:27:01 GMT 2023

PRIMARY

FDA UNII

YQC8D2QG5Y

Created by admin on Sat Dec 16 18:27:01 GMT 2023 , Edited by admin on Sat Dec 16 18:27:01 GMT 2023

PRIMARY

CAS

155521-45-2

Created by admin on Sat Dec 16 18:27:01 GMT 2023 , Edited by admin on Sat Dec 16 18:27:01 GMT 2023

PRIMARY

Related Record Type Details


					555C7I140L

ALISMA PLANTAGO-AQUATICA SUBSP. ORIENTALE ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Alisol C 23-acetate, alisol F, alisol B and alisol B 23-acetate were isolated from Rhizoma Alismatis.

Amount: