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CAS 102841-43-0 Mulberroside C molecular structure lightbox
CAS RN: 102841-43-0

Mulberroside C

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7 package records6 with current stock2 grade groups
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Batchno.20260101 100mg In stock Shanghai Inquiry
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Batchno.20260701 250mg In stock Shanghai Inquiry
Batchno.20250824 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS102841-43-0
  • Purity/Analytical Methods: >99.0%
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102841-43-0 / (2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

Mulberroside C | RefChem:160013 | (2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

Standard CAS: 102841-43-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102841-43-0
Multi CAS
Yes
Molecular Formula
C24H26O9
Molecular Weight
458.500000
Exact Mass
458.157682
SMILES
CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)C
InChI
InChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20?,21+,22-,23+/m1/s1
InChIKey
OHVJCFZJKPEJRL-BOWLQXBNSA-N
Synonyms
Mulberroside C RefChem:160013 (2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol MulberrosideC Mulberroside-C

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
5
Molar refractivity
116.12
TPSA
141.98

LogP / Solubility

WLOGP
1.7
MLOGP
1.52
XLogP3
1.5
Consensus LogP
1.57
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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