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CAS 1059-14-9 Taraxasterol molecular structure lightbox
CAS RN: 1059-14-9

Taraxasterol

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8 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 100mg Out of stock Inquiry
Batchno.20260217 20mg In stock Inquiry
Batchno.20250904 5mg Out of stock Inquiry
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Batchno.20260408 5mg / 20mg / 100mg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 10mg In stock Shanghai Inquiry
Batchno.20250210 25mg In stock Shanghai Inquiry
Batchno.20260308 50mg Out of stock Inquiry
Batchno.20260113 5mg Out of stock Inquiry
  • Product code: starshine_CAS1059-14-9
  • Purity/Analytical Methods: >99.0%
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1059-14-9 / (3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol

Taraxasterol | Isolactucerol | alpha-lactucerol

Standard CAS: 1059-14-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1059-14-9
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
SMILES
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C
InChI
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey
XWMMEBCFHUKHEX-ZJJHUPNDSA-N
Synonyms
Taraxasterol Isolactucerol alpha-lactucerol 64SK2ERN9P CHEBI:9401

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.65
TPSA
20.23

LogP / Solubility

WLOGP
8.02
MLOGP
7.09
XLogP3
9.1
Consensus LogP
8.07
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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