RUBELLIN B

Details

Stereochemistry	UNKNOWN
Molecular Formula	C30H22O10
Molecular Weight	542.4897
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC2=C(C(O)=C1)C(=O)O[C@@H]3[C@H](O)C=C[C@@H]4C5=C(C[C@]34[C@H]2O)C=C(O)C6=C5C(=O)C7=C(C(O)=CC=C7O)C6=O

InChI

InChIKey=KHJHNXVDMFGVEP-PJQIVZKYSA-N

InChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28-16(33)3-2-13-19-11(9-30(13,28)27(12)38)8-18(35)23-24(19)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3/t13-,16-,27+,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H22O10
Molecular Weight	542.4897
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:24:06 GMT 2025` Edited by `admin` on `Tue Apr 01 16:24:06 GMT 2025`
Record UNII	88B20HYO95
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBELLIN B

Common Name

English

RUBELLIN B, (+)-

Preferred Name

English

BENZO(E)NAPHTHO(2',3':5,6)FLUORENO(1,9A-B)OXEPIN-5,10,19(15H)-TRIONE, 5C,8,8A,16-TETRAHYDRO-1,4,8,11,15,18-HEXAHYDROXY-13-METHYL-, (5C.ALPHA.,8.BETA.,8A.ALPHA.,15.ALPHA.,15AS*)-(+)-

Systematic Name

English

BENZO(E)NAPHTHO(2',3':5,6)FLUORENO(1,9A-B)OXEPIN-5,10,19(15H)-TRIONE, 5C,8,8A,16-TETRAHYDRO-1,4,8,11,15,18-HEXAHYDROXY-13-METHYL-, (5CR,8R,8AS,15S,15AS)-REL-(+)-

Systematic Name

English

Code System Code Type Description

FDA UNII

88B20HYO95

Created by admin on Tue Apr 01 16:24:06 GMT 2025 , Edited by admin on Tue Apr 01 16:24:06 GMT 2025

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PUBCHEM

119025778

Created by admin on Tue Apr 01 16:24:06 GMT 2025 , Edited by admin on Tue Apr 01 16:24:06 GMT 2025

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CAS

102349-31-5

Created by admin on Tue Apr 01 16:24:06 GMT 2025 , Edited by admin on Tue Apr 01 16:24:06 GMT 2025

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