RUBROSKYRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H22O12
Molecular Weight	574.4885
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](O)[C@@H](C(=O)C3=C(O)C4=C(C(=O)C(C)=CC4=O)C(O)=C13)[C@@]56C(=O)C7=C(O)C(C)=CC(O)=C7C(=O)C5=C(O)C[C@H](O)[C@@]26[H]

InChI

InChIKey=VNIPLHKVUIWVEN-TWBHCDLESA-N

InChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,32-34,36-38,40H,5H2,1-2H3/t10-,15+,19-,21-,27+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H22O12
Molecular Weight	574.4885
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:57:48 GMT 2023` Edited by `admin` on `Sat Dec 16 08:57:48 GMT 2023`
Record UNII	E8RL0DEY5S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBROSKYRIN

Common Name

English

9,17-METHANONAPHTHO(2',3':5,6)CYCLOHEPT(1,2-D)ANTHRACENE-5,11,14,16,18(17H)-PENTONE, 7,8,8A,9-TETRAHYDRO-1,4,6,8,10,15,19-HEPTAHYDROXY-2,12-DIMETHYL-, (8S,8AS,9S,17S,17AR,19R)-

Systematic Name

English

(8S,8AS,9S,17S,17AR,19R)-7,8,8A,9-TETRAHYDRO-1,4,6,8,10,15,19-HEPTAHYDROXY-2,12-DIMETHYL-9,17-METHANONAPHTHO(2',3':5,6)CYCLOHEPT(1,2-D)ANTHRACENE-5,11,14,16,18(17H)-PENTONE

Systematic Name

English

(-)-RUBROSKYRIN

Common Name

English

Code System Code Type Description

FDA UNII

E8RL0DEY5S

Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID70944482

Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023

PRIMARY

CAS

21884-47-9

Created by admin on Sat Dec 16 08:57:48 GMT 2023 , Edited by admin on Sat Dec 16 08:57:48 GMT 2023

PRIMARY