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CAS 17990-42-0 3-Oxo-olean-12-en-28-oic acid molecular structure lightbox
CAS RN: 17990-42-0

3-Oxo-olean-12-en-28-oic acid

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 250mg Out of stock 5-7 business days Inquiry
Batchno.20250904 50mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260522 100mg Out of stock Inquiry
Batchno.20260402 1g Out of stock Inquiry
Batchno.20250626 250mg Out of stock Inquiry
  • Product code: starshine_CAS17990-42-0
  • Purity/Analytical Methods: >99.0%
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17990-42-0 / (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Standard CAS: 17990-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17990-42-0
Multi CAS
No
Molecular Formula
C30H46O3
Molecular Weight
454.700000
Exact Mass
454.344695
SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C
InChI
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
InChIKey
FMIMFCRXYXVFTA-FUAOEXFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
131.68
TPSA
54.37

LogP / Solubility

WLOGP
7.44
MLOGP
6.58
XLogP3
7.2
Consensus LogP
7.07
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
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)
-0.21

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
7

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