RHODOJAPONIN III

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O6
Molecular Weight	368.4645
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O

InChI

InChIKey=VUMZHZYKXUYIHM-GLHQSWFFSA-N

InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O6
Molecular Weight	368.4645
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:21:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:21:34 GMT 2025`
Record UNII	C7FEJ7QWQE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RHODOJAPONIN III

Common Name

English

(2.BETA.,3.BETA.,6.BETA.,14R)-2,3-EPOXYGRAYANOTOXANE-5,6,10,14,16-PENTOL

Preferred Name

English

7,9A-METHANO-9A.ALPHA.H-CYCLOPENTA(B)HEPTALENE-4,8,11,11A.BETA.,12(1H)-PENTOL, 2.BETA.,3.BETA.-EPOXY-2,3,3A.BETA.,4,4A.BETA.,5,6,7.BETA.,8,9,10,11.ALPHA.-DODECAHYDRO-1,1,4.BETA.,8.BETA.-TETRAMETHYL-

Systematic Name

English

GRAYANOTOXANE-5,6,10,14,16-PENTOL, 2,3-EPOXY-, (2.BETA.,3.BETA.,6.BETA.,14R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40949207