FLEXUOSIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O6
Molecular Weight	364.4327
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3[C@@H](O)CC(=O)[C@@]3(C)[C@H]2OC(=O)C=C(C)C)OC1=O

InChI

InChIKey=NVWSHXGIQXQTBM-SLLDRMNISA-N

InChI=1S/C20H28O6/c1-9(2)6-15(23)26-18-16-11(4)19(24)25-13(16)7-10(3)17-12(21)8-14(22)20(17,18)5/h6,10-13,16-18,21H,7-8H2,1-5H3/t10-,11+,12+,13-,16-,17-,18+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O6
Molecular Weight	364.4327
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:03:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:41 GMT 2025`
Record UNII	3QD11410IV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLEXUOSIN B

Common Name

English

NSC-85248

Preferred Name

English

FLEXUOSINE B

Common Name

English

2-BUTENOIC ACID, 3-METHYL-, (3S,3AR,4S,4AR,7S,7AS,8R,9AR)-DODECAHYDRO-7-HYDROXY-3,4A,8-TRIMETHYL-2,5-DIOXOAZULENO(6,5-B)FURAN-4-YL ESTER

Systematic Name

English

2-BUTENOIC ACID, 3-METHYL-, DODECAHYDRO-7-HYDROXY-3,4A,8-TRIMETHYL-2,5-DIOXOAZULENO(6,5-B)FURAN-4-YL ESTER, (3S-(3.ALPHA.,3A.BETA.,4.BETA.,4A.ALPHA.,7.BETA.,7A.BETA.,8.BETA.,9A.BETA.))-

Systematic Name

English

AMBROSAN-12-OIC ACID, 2.ALPHA.,6.ALPHA.,8.BETA.-TRIHYDROXY-4-OXO-, 12,8-LACTONE, 6-(3-METHYLCROTONATE)

Systematic Name

English

Code System Code Type Description

CAS

6805-36-3