ARECATANNIN B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H38O18
Molecular Weight	866.7724
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC2=CC(O)=C(C(O)=C2C[C@@H]1O)[C@]3([H])[C@@H](O)[C@]([H])(OC4=C(C(O)=CC(O)=C34)[C@]5([H])[C@@H](O)[C@]([H])(OC6=CC(O)=CC(O)=C56)C7=CC(O)=C(O)C=C7)C8=CC(O)=C(O)C=C8)C9=CC(O)=C(O)C=C9

InChI

InChIKey=PBYRKMXDROOXMU-XKDUFCMJSA-N

InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H38O18
Molecular Weight	866.7724
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 `Sat Dec 16 16:57:42 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:42 GMT 2023`
Record UNII	3S8S4BYC2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARECATANNIN B1

Common Name

English

(4,8':4',6''-TER-2H-1-BENZOPYRAN)-3,3',3'',5,5',5'',7,7',7''-NONOL, 2,2',2''-TRIS(3,4-DIHYDROXYPHENYL)-3,3',3'',4,4',4''-HEXAHYDRO-, (2R,2'R,2''R,3R,3'R,3''S,4R,4'S)-

Systematic Name

English

(2R,2'R,2''R,3R,3'R,3''S,4R,4'S)-2,2',2''-TRIS(3,4-DIHYDROXYPHENYL)-3,3',3'',4,4',4''-HEXAHYDRO(4,8':4',6''-TER-2H-1-BENZOPYRAN)-3,3',3'',5,5',5'',7,7',7''-NONOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

14237657