Bisandrographolide C

CAT: 0926-KGA49802-04Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-KGA49802-04Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

160498-02-2

MDL Number

MFCD22417323

Smiles

CC12CCC (C (C1CCC (=C) C2CC (C3C=C (C (=O) O3) C=CC4C (=C) CCC5C4 (CCC (C5 (C) CO) O) C) C6=CCOC6=O) (C) CO) O

Molecular Formula

C40H56O8

Molecular Weight

664.9 g/mol

Controlled

Chemical Information

Bisandrographolide

CAS Number	160498-02-2
PubChem CID	12000062
IUPAC Name	4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(5-oxo-2H-furan-4-yl)ethyl]-2H-furan-5-one
Molecular Formula	C40H56O8
Molecular Weight	664.9
XLogP	6.1
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	48
Formal Charge	0
Complexity	1440

SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CC(C3C=C(C(=O)O3)/C=C/[C@@H]4C(=C)CC[C@H]5[C@]4(CC[C@H]([C@@]5(C)CO)O)C)C6=CCOC6=O)(C)CO)O

InChI

InChI=1S/C40H56O8/c1-23-7-11-31-37(3,16-13-33(43)39(31,5)21-41)28(23)10-9-25-19-30(48-35(25)45)27(26-15-18-47-36(26)46)20-29-24(2)8-12-32-38(29,4)17-14-34(44)40(32,6)22-42/h9-10,15,19,27-34,41-44H,1-2,7-8,11-14,16-18,20-22H2,3-6H3/b10-9+/t27?,28-,29-,30?,31+,32+,33-,34-,37+,38+,39+,40+/m1/s1

InChIKey

WQHWOZANSOUSAY-LZBAHHAZSA-N

Chemical Structure

2D Structure

CAS: 160498-02-2

CID: 12000062

Formula: C40H56O8

MW: 664.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	664.9
XLogP3	6.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	664.39751874
Monoisotopic Mass	664.39751874
Topological Polar Surface Area	134 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
KGA49800-01	Bisandrographolide
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZHA33135-01	Dehydroglyasperin C
YEA70294-01	Kuwanol C
PJB76361-01	Gnetucleistol C
PHA35115-01	Corchoionol C
SEA80396-01	Taccalonolide C
SBA54655-01	Flavokavain C

Alternative Products

Catalog	Name
HY-N2940-01	Bisandrographolide A
T13582-01	Bisandrographolide C

Bisandrographolide C

Chemical Information

Related Products

Alternative Products

Popular Products